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DOE OSTI2023

Evaluation of Thermal Neutron Scattering Cross Section of Uranium Silicide with Ab Initio Lattice Dynamics

Uranium silicide (U 3 Si 2 ) is a candidate material for the high-density nuclear fuel in commercial light water reactors [1], [2]. Its higher uranium density, 11.3 g-U/cm3, compared to that of uranium dioxide (UO 2 ), 9.7 g-U/cm3, can improve the performance of a nuclear reactor while using low enriched uranium (LEU) and diversify the choice of cladding materials [1]–[3]. It also has a higher thermal conductivity than UO 2 , which can reduce the thermal stress on the material caused by a temperature gradient across the fuel pellet and provide a larger margin for some postulated accidents [1], [2], [4]. Furthermore, compared to U3Si, another high-density fuel candidate, it has better resistance to in-pile swelling due to less irradiation-induced rapid amorphization [1], [3]. Corresponding to its importance in nuclear engineering, many previous studies have reported the properties of U3Si2. Experiments showed that U 3 Si 2 is a paramagnetic (PM) metal, where a slight linear increase in magnetic susceptibility was measured with increasing temperature [5], [6]. In addition, thermodynamic quantities such as thermal expansion coefficient, heat capacity, and thermal conductivity were experimentally determined over a wide temperature range [1], [7], [8]. In several computational studies, ab initio atomistic simulations based on density functional theory (DFT) were performed to calculate various properties including elastic constants, electronic density of states (DOS), and phonon dispersion curves [9]–[12]. Nevertheless, thermal neutron scattering cross sections, which are critical to the prediction of the parameters in reactor physics that are ultimately related to reactor criticality, have not yet been evaluated for U3Si2. The scattering cross section can be calculated from the phonon DOS, or the energy spectrum of lattice vibrations, of the crystalline system [13], [14]. However, there is also no experimental data available for the phonon DOS of U 3 Si 2 . While some computational studies reported the phonon DOS and/or dispersion curves from ab initio simulations [9]–[12], the accuracy cannot be guaranteed because it is unclear whether the spin-polarization behavior of PM U 3 Si 2 was properly described. In the present study, the thermal neutron scattering cross section for U 3 Si 2 is evaluated for the first time by calculating the phonon DOS for U3Si2 from ab initio lattice dynamics (AILD) simulations based on DFT. First, U 3 Si 2 is modeled based on the experimental structure, and AILD simulations are performed on the modeled U3Si2 to optimize the structure. Next, AILD simulations are performed for supercells with atomic displacement to calculate Hellmann-Feynman forces. Based on the calculated forces, partial phonon DOSs for U and Si are obtained, and the thermal neutron scattering law (TSL) for U 3 Si 2 is finally evaluated. To verify the accuracy of the calculations in the present study, the calculation results are compared with experimental data on the structure and heat capacity of U3Si2 [1], [7], [8], [15].

Geometry Optimization↗

DOE OSTI2020

Neutral Pion Electroproduction and development of a Neutral Particle Spectrometer

Protons and neutrons, i.e. nucleons, are the basic building blocks of the matter in the visible universe. The strong force binds the nucleons to form nuclei. The electromagnetic force forms the atoms by binding the electrons with the nuclei. The electromagnetic interaction is well understood by Quantum Electrodynamics (QED), which shows the most precise predictability amongst all the theories in physics. In QED, charges interact with each other by exchanging photons. The Quantum Chromodynamics (QCD) describes the strong interaction. Its degrees of freedom are quarks and gluons, the fundamental constituents of the nucleons. The quarks interact with each other by exchanging gluons. However, unlike QED, the gluons interact amongst themselves. This feature of self bindings of the gluons confines the quarks and gluons in the nucleons/hadrons, never to be seen as free. In order to study some of the features of QCD, such as confinement or the structure of the nucleon, one usually needs to rely on experiments. Electromagnetic probes, governed by the well-understood QED, are excellent tools to probe the nucleon. In general, different scales, e.g. electron beam energies, probe different regions of the nucleon. At low energy, of the order of a few GeV, the electron probes the nucleon in the valence quark region. As its energy increases, the electron probes the sea quark and gluon regions. The study of the nucleon structure in all these regions is needed to fully understand QCD. Form factors and parton distribution functions measured from elastic scattering and deep inelastic scattering of leptons off nucleons have provided a partial view of the internal structure of the nucleon. In the mid-1990s, Generalized Parton Distributions (GPDs) were developed. These new objects are a generalization of the form factors and parton distribution functions, but contain richer information on the nucleon internal structure. GPDs are accessible experimentally by deep exclusive reactions. Deeply virtual Compton scattering (DVCS) and deeply virtual meson production (DVMP) are some examples. The first dedicated DVCS/DVMP experiment took place in 2004 in Hall A at The Thomas Jefferson National Accelerator Facility, i.e. Jefferson Lab, in Virginia, U.S.A. A new DVCS/DVMP experiment, after the beam energy upgrade of Jefferson Lab, was carried out in Hall A in a wider kinematic range. Its data were taken from 2014 to 2016. In Hall C at Jefferson Lab, the next DVCS/DVMP experiment will take place. The Hall C experiment will further exploit the kinematic range with higher precision. A Neutral Particle Spectrometer (NPS) is in development to measure DVCS/DVMP events under high background conditions. Jefferson Lab will provide the highest precision data in the valence quark region for various exclusive reactions. The Electron-Ion Collider (EIC) is a future experimental facility currently planned to start operations around 2030 in the U.S.A. Its high energy and high luminosity will probe the sea quark and gluon regions providing answers to the outstanding questions of QCD, in particular in the region where matter is dominated by gluons. First of all, this document describes the data analysis and results of the Hall A neutral pion electroproduction off the proton, from the data taken in 2014-2016. Later, some of the developments towards the construction of the electromagnetic calorimeter of the NPS for the upcoming DVCS/DVMP experiment in Hall C are presented. Finally, one of the candidate materials for the EIC calorimeter, a glass scintillator, will be briefly introduced. I have participated to all these projects, in collaboration with many colleagues. I present in this thesis my contributions to each of these projects. My contributions to the neutral pion data analysis were focused on background subtractions on the calorimeter, acceptance calculations, and the estimation of the systematic uncertainty associated to the event selection cuts. Some necessary information on calibrations of the detectors and data analysis methods are also described. In the NPS project, I performed background dose calculations and energy and position resolution studies of the calorimeter, all using Monte Carlo simulations, with realistic geometries of the experimental apparatus. Characterization of the crystals of the calorimeter was also done. Additionally, I measured the radiation hardness of some glass scintillator in its early stage of development. In order to have a future reference when the glass calorimeter prototype will be tested, I simulated the energy resolution of the prototype.

Ko, Ho-San↗

NASA NTRS2003

Cardiac myofilaments: mechanics and regulation

The mechanical properties of the cardiac myofilament are an important determinant of pump function of the heart. This report is focused on the regulation of myofilament function in cardiac muscle. Calcium ions form the trigger that induces activation of the thin filament which, in turn, allows for cross-bridge formation, ATP hydrolysis, and force development. The structure and protein-protein interactions of the cardiac sarcomere that are responsible for these processes will be reviewed. The molecular mechanism that underlies myofilament activation is incompletely understood. Recent experimental approaches have been employed to unravel the mechanism and regulation of myofilament mechanics and energetics by activator calcium and sarcomere length, as well as contractile protein phosphorylation mediated by protein kinase A. Central to these studies is the question whether such factors impact on muscle function simply by altering thin filament activation state, or whether modulation of cross-bridge cycling also plays a part in the responses of muscle to these stimuli.

Review, Tutorial↗

DOE OSTI2024

Theory of Ion-Mediated Segmental Localization, Activated Structural Relaxation, and the Glass Transition in Polymerized Ionic Liquids

Here we combine polymer integral equation theory for structural correlations with a force-level theory for activated segmental relaxation to construct a microscopic theory for how ions modify the onset of segmental localization, the polymer alpha relaxation time, and glass transition temperature, T g , in dry polymerized ionic liquids (PolyILs). Our most important findings concerning the behavior of T g are (i) a weak dependence on anion–cation Coulomb attraction strength due to strong decoupling of ion and segmental dynamics, (ii) strong reduction with increasing mobile ion size due to both plasticization effects and weakening of ion-modified monomer caging, and (iii) increase with backbone rigidity and intrachain dynamic cooperativity. We quantitatively estimate T g variations as ion size and polymer static and dynamic rigidity are widely varied. The experimental data of 19 PolyILs are organized into a specific pattern consistent with the theoretical predictions with glass transition temperatures varying over a very wide range (~250 K) as observed experimentally. Based on the theoretical results, suggestions are made concerning the search for high conductivity Li- or Na-based PolyILs based on further lowering of T g via new polymer synthesis. Calculations of the alpha time as a function of packing fraction reveal the dynamic fragility increases for larger mobile ions, a more flexible backbone, and/or a smaller degree of intrachain dynamic cooperativity, as a consequence of the increasing importance of collective elasticity in determining the activation barrier. An analysis of transient segmental localization and a crossover to activated dynamics reveals similar, but not identical, trends as predicted at the laboratory vitrification timescale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Linear Seismic Source Equivalents in 3D Nonlinear Models: Effects of Embedded Small-Scale, Near-Source Structures

Gaining a proper understanding of how Earth structure and other near-source properties affect estimates of explosion yield is important to the nonproliferation mission. The yields of explosion sources are often based on seismic moment or waveform amplitudes. Quantifying how the seismic waveforms or estimates of the source characteristics derived from those waveforms are influenced by natural or man-made structures within the near-source region, where the wavefield behaves nonlinearly, is required to understand the full range of uncertainty in those yield estimates. We simulate tamped chemical explosions using a nonlinear, shock physics code and couple the ground motions beyond the elastic radius to a linear elastic, full waveform seismic simulation algorithm through 3D media. In order to isolate the effects of simple small-scale 3D structures on the seismic wavefield and linear seismic source estimates, we embed spheres and cylinders close to the fully- tamped source location within an otherwise homogenous half-space. The 3 m diameters spheres, given their small size compared to the predominate wavelengths investigated, not surprisingly are virtually invisible with only negligible perturbations to the far-field waveforms and resultant seismic source time functions. Similarly, the 11 m diameter basalt sphere has a larger, but still relatively minor impact on the wavefield. However, the 11 m diameter air-filled sphere has the largest impact on both waveforms and the estimated seismic moment of any of the investigated cases with a reduction of ~25% compared to the tamped moment. This significant reduction is likely due in large part to the cavity collapsing from the shock instead of being solely due to diffraction effects . Although the cylinders have the same diameters as the 3 m spheres, their length of interaction with the wavefield produces noticeable changes to the seismic waveforms and estimated source terms with reductions in the peak seismic moment on the order of 10%. Both the cylinders and 11 m diameter spheres generate strong shear waves that appear to emanate from body force sources.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2022

Lowest-energy broad 𝛼-cluster resonances in 19 F

There is strong astrophysical interest in the structure of 19 F states near the α-decay threshold, as their properties are important for understanding the development of α clustering in the 20 Ne region. The emergence of clustered states, and more generally of states that couple strongly to reaction channels near their decay thresholds, is also a topic of current interest in theoretical nuclear physics. In this work, we determine the parameters of broad low-spin states in 19 F near the α-decay threshold and present a theoretical study of these states. The analysis is restricted to ℓ = 0 and 1 resonances in the α + 15 N system close to the α threshold in 19 F. Excitation functions for 15 N(α,α) elastic scattering were measured using the Thick Target Inverse Kinematics (TTIK) method, and these new data, together with older high–energy-resolution measurements, were analyzed within the R-matrix framework. The nuclear structure of 19 F was calculated using configuration-interaction methods with a recently developed effective interaction Hamiltonian. As a result, we identify a sequence of α-cluster resonances in 19 F and map the distribution of clustering strength, which is relevant for astrophysical reaction modeling and for the theoretical understanding of many-body dynamics and the emergence of clustering in loosely bound or unstable nuclei. Furthermore, the work advances theoretical insight into the origins of clustering and highlights open questions for future theoretical and experimental studies.

19F↗

DOE OSTI2023

Flexoelectricity and New Phenomena

It is easy to miss the scientific implications of our recent work on Triboelectricity. Everyone knows that rubbing and contact can produce static electricity; less appreciated is that the thermodynamic driver has been an open question since static electricity was first observed by Thales of Miletus around 585 BC. People think they understand it, for instance one common explanation that can still be found in the current literature is that differences in the work function drives charge transfer, often called the Volta-Helmholtz hypothesis. As summarized in 1967 by Harper, this fails to explain many experimental observations, for instance that charging can occur when two pieces of the same material are rubbed against each other. We are the first to place triboelectricity on a solid foundation rooted in quantum mechanics – the flexoelectric effect. We were able to explain a significant number of previously unexplained phenomena: 1) Bipolar tribocurrents associated with stick-slip, due to the change in sign of the strain gradients. 2) A one-third power scaling of tribocurrents with indentation force. 3) Tribocharging when two identical materials are used, these being due to local variations in the asperities so there are usually local potential differences. 4) Inhomogeneous charging of insulators, related to the statistical nature of asperities. 5) An experimentally observed reversal in the sign of charge transfer for negative and positive curvature, which is related to a change in the sign of the strain gradient. Exploiting our DOE prior funded work on flexoelectricity, we obtained semi-quantitative matching to existing experimental measurements of the surface charge in triboelectric experiments. The work has been well received in the literature. The work has been the focus of a number of popular science press articles, and also formed the basis for a Podcast for children 6-10 “The Rise and Fall of Static Man” posted in December 2019 by NPR as part of their “Wow in the World” series. I was also briefly interviewed by the Chicago PBS station in January 2020. This work are significant for a wide range of energy applications; to quote from an independent source: "Triboelectric power has plenty of potential, says Wenzhuo Wu, an assistant professor of engineering at Purdue. If the basics of static electricity are better understood, we could maximize the efficiency of wind or wave power generators, Wu says. The body's own movement could be used to power internal medical devices. Imagine being able to create a roof shaped to harness the power of a raindrop — the friction of the rain passing over the surface — to generate triboelectricity, powering the building below it." This is the start of new science, some of which we already partially understand such as the role of band bending in charge transfer. We need to understand charge transfer combining elasticity, quantum mechanics, band bending and defect states. These directly involve several of the DOE Grand Challenges: "How do we control material processes at the level of electrons? How do remarkable properties of matter emerge from complex correlations of the atomic or electronic constituents and how can we control these properties? How do we characterize and control matter away—especially very far away— from equilibrium?" I will argue that this work truly falls into the class of disruptive science; it is not just a simple extension, linear science. Not everyone will accept the approach. Since we explain far more about triboelectricity than anyone before, the preponderance of evidence supports the model. The feedback I have received is that many agree with the work, to quote: "The model makes sense, says Michael McAlpine, a professor of engineering at the University of Minnesota. "It's such a simple explanation, I was surprised I didn't put my finger on that," McAlpine says." The proposal received strong reviews. It was also publicized on the Department of Energy Web Site.

16 TIDAL AND WAVE POWER↗

NASA NTRS2010

Foldable Instrumented Bits for Ultrasonic/Sonic Penetrators

Long tool bits are undergoing development that can be stowed compactly until used as rock- or ground-penetrating probes actuated by ultrasonic/sonic mechanisms. These bits are designed to be folded or rolled into compact form for transport to exploration sites, where they are to be connected to their ultrasonic/ sonic actuation mechanisms and unfolded or unrolled to their full lengths for penetrating ground or rock to relatively large depths. These bits can be designed to acquire rock or soil samples and/or to be equipped with sensors for measuring properties of rock or soil in situ. These bits can also be designed to be withdrawn from the ground, restowed, and transported for reuse at different exploration sites. Apparatuses based on the concept of a probe actuated by an ultrasonic/sonic mechanism have been described in numerous prior NASA Tech Briefs articles, the most recent and relevant being "Ultrasonic/ Sonic Impacting Penetrators" (NPO-41666) NASA Tech Briefs, Vol. 32, No. 4 (April 2008), page 58. All of those apparatuses are variations on the basic theme of the earliest ones, denoted ultrasonic/sonic drill corers (USDCs). To recapitulate: An apparatus of this type includes a lightweight, low-power, piezoelectrically driven actuator in which ultrasonic and sonic vibrations are generated and coupled to a tool bit. The combination of ultrasonic and sonic vibrations gives rise to a hammering action (and a resulting chiseling action at the tip of the tool bit) that is more effective for drilling than is the microhammering action of ultrasonic vibrations alone. The hammering and chiseling actions are so effective that the size of the axial force needed to make the tool bit advance into soil, rock, or another material of interest is much smaller than in ordinary twist drilling, ordinary hammering, or ordinary steady pushing. Examples of properties that could be measured by use of an instrumented tool bit include electrical conductivity, permittivity, magnetic field, magnetic permeability, temperature, and any other properties that can be measured by fiber-optic sensors. The problem of instrumenting a probe of this type is simplified, relative to the problem of attaching electrodes in a rotating drill bit, in two ways: (1) Unlike a rotating drill bit, a bit of this type does not have flutes, which would compound the problem of ensuring contact between sensors and the side wall of a hole; and (2) there is no need for slip rings for electrical contact between sensor electronic circuitry and external circuitry because, unlike a rotating drill, a tool bit of this type is not rotated continuously during operation. One design for a tool bit of the present type is a segmented bit with a segmented, hinged support structure (see figure). The bit and its ultrasonic/sonic actuator are supported by a slider/guiding fixture, and its displacement and preload are controlled by a motor. For deployment from the folded configuration, a spring-loaded mechanism rotates the lower segment about the hinges, causing the lower segment to become axially aligned with the upper segment. A latching mechanism then locks the segments of the bit and the corresponding segments of the slider/guiding fixture. Then the entire resulting assembly is maneuvered into position for drilling into the ground. Another design provides for a bit comprising multiple tubular segments with an inner alignment string, similar to a foldable tent pole comprising multiple tubular segments with an inner elastic cable connecting the two ends. At the beginning of deployment, all segments except the first (lowermost) one remain folded, and the ultrasonic/sonic actuator is clamped to the top of the lowermost segment and used to drive this segment into the ground. When the first segment has penetrated to a specified depth, the second segment is connected to the upper end of the first segment to form a longer rigid tubular bit and the actuator is moved to the upper end of the second segnt. The process as described thus far is repeated, adding segments until the desired depth of penetration has been attained. Yet other designs provide for bits in the form of bistable circular- or rectangular- cross-section tubes that can be stowed compactly like rolls of flat tape and become rigidified upon extension to full length, in a manner partly similar to that of a common steel tape measure. Albeit not marketed for use in tool bits, a bistable reeled composite product that transforms itself from a flat coil to a rigid tube of circular cross section when unrolled, is commercially available under the trade name RolaTube(TradeMark) and serves as a model for the further development of tool bits of this subtype.

Bar-Cohen, Yoseph↗

NASA NTRS2013

Robotic Ankle for Omnidirectional Rock Anchors

Future robotic exploration of near-Earth asteroids and the vertical and inverted rock walls of lava caves and cliff faces on Mars and other planetary bodies would require a method of gripping their rocky surfaces to allow mobility without gravitational assistance. In order to successfully navigate this terrain and drill for samples, the grippers must be able to produce anchoring forces in excess of 100 N. Additionally, the grippers must be able to support the inertial forces of a moving robot, as well gravitational forces for demonstrations on Earth. One possible solution would be to use microspine arrays to anchor to rock surfaces and provide the necessary load-bearing abilities for robotic exploration of asteroids. Microspine arrays comprise dozens of small steel hooks supported on individual suspensions. When these arrays are dragged along a rock surface, the steel hooks engage with asperities and holes on the surface. The suspensions allow for individual hooks to engage with asperities while the remaining hooks continue to drag along the surface. This ensures that the maximum possible number of hooks engage with the surface, thereby increasing the load-bearing abilities of the gripper. Using the microspine array grippers described above as the end-effectors of a robot would allow it to traverse terrain previously unreachable by traditional wheeled robots. Furthermore, microspine-gripping robots that can perch on cliffs or rocky walls could enable a new class of persistent surveillance devices for military applications. In order to interface these microspine grippers with a legged robot, an ankle is needed that can robotically actuate the gripper, as well as allow it to conform to the large-scale irregularities in the rock. The anchor serves three main purposes: deploy and release the anchor, conform to roughness or misalignment with the surface, and cancel out any moments about the anchor that could cause unintentional detachment. The ankle design contains a rotary DC motor that can drag the microspine arrays across the surface to engage them with asperities, as well as a linear actuator to disengage the hooks from the surface. Additionally, the ankle allows the gripper to rotate freely about all three axes so that when the robot takes a step, the gripper may optimally orient itself with respect to the wall or ground. Finally, the ankle contains some minimal elasticity, so that between steps, the gripper returns to a default position that is roughly parallel to the wall.

Parness, Aaron↗

DOE OSTI2025

Across the Scales of the Nucleus: Understanding Short Range Correlations from Medium Modification to Probe Independence

The atomic nucleus presents an intricate system due to the non-linear forces described by Quantum Chromodynamics (QCD) that govern its structure. The range of scales involved is remarkable; the most massive nuclei weigh approximately five orders of magnitude more than the quarks that compose them. The nucleus can be analyzed at various levels, from quarks to hadrons to the nucleus as a whole. Short-Range Correlations (SRCs) within the nucleus play a significant role that spans these diverse scales. At the most fundamental level, SRCs influence the interaction between nucleons. The nucleon-nucleon (NN) interaction, arising from QCD, is crucial in determining nuclear properties. SRCs serve as valuable probes for measuring this NN interaction, as the nucleons within SRCs become effectively decoupled from the rest of the nucleus. Multiple experimental techniques, including electron scattering, have been employed to investigate the NN interaction through SRCs. However, our first project demonstrates that inclusive measurements alone are inadequate to constrain this interaction fully. Moving to the scale of the nucleus, SRCs contribute to the high-momentum tail of the nuclear spectral function. While the low-momentum region is characterized by nucleons exhibiting bulk properties, nucleons begin to pair into SRCs at higher momenta. Our research aims to bridge the understanding between the mean-field portion of the nucleus and its high-momentum SRC components. Additionally, SRCs affect the quark structure of protons, as evidenced by the EMC effect, which indicates that quarks behave differently when protons are embedded within a nucleus—an effect referred to as medium modification. This thesis explores the correlation between SRCs and medium modification across various experimental setups. Finally, we seek to establish an interpretation of the nuclear ground state. Accomplishing this requires demonstrating that our SRC observables are independent of the probe’s scale and scheme. The concluding project of this thesis illustrates how we utilize triple coincidence quasi-elastic scattering across a range of (Q2) values to develop a model-dependent framework for understanding SRC distributions within the nucleus’s ground-state wavefunction.

Denniston, A. W. Denniston [University of Tel Aviv↗

DOE OSTI2022

Command of active and responsive elastomers by topological defects and patterns

The project resulted in the development of stimuli-responsive elastomer coatings formed by photopolymerized liquid crystal molecules. The molecular orientation of the liquid crystal elastomers is coupled to rubber-like elasticity. The project developed an approach to produce complex patterns of molecular orientation in elastomers by employing photopatterning technique based on plasmonic metamasks that convert unpolarized incoming light into a transmitted light beam with spatially-varying linear polarization. The polarization-modulated light beam aligns the film of azodye molecules, which serves as the substrate for liquid crystal elastomer coating. The alignment of the azodye molecules follows the polarization pattern with a phase shift of the alignment direction by 90 degrees. The azodye substrate imposes orientation of molecules in the adjacent liquid crystal layer which is preserved after the monomers are polymerized into a liquid crystal elastomer. By using differently aligned substrates one could produce various patterns of molecular orientation in the elastomer, which dictate the mechanical properties of the elastomers and their response to external stimuli such as temperature, humidity, and ultraviolet irradiation. In particular, the predesigned molecular orientation produces deterministically defined topography response of the liquid crystal coatings, in which their free surface changes from flat to either locally elevated or locally compressed, depending on whether the pre-inscribed molecular orientation is predesigned with a splay or bend deformation. The research established that the mechanism of this deterministic relation between the dynamic topography and pre-inscribed molecular orientation is rooted in the change of the tensorial order parameter that characterizes the degree of orientational order, and in the contraction/expansion of polymer molecules in response to the order parameter changes. In particular, lowering the order causes contraction of polymer globules. The work demonstrated that the dynamic topography of elastomer coatings with three-dimensional pattern of orientational order includes up and down motion of the material (along the normal to the coating) and also shifts in lateral directions. We demonstrate that the deterministic relationship between the orientational patterns and variations of coatings’ profile is caused by forces that are mathematically equivalent to active forces in the system of “pullers” or “pushers” in active matter, demonstrating universality of the out-of-equilibrium behavior. The project resulted in theoretical models that predictively describe the dynamic response of coatings. The topography of liquid crystal elastomers is sensitive to stimuli such as temperature, ultraviolet irradiation, and humidity. The applicability of the patterned approach to produce dynamic coatings was expanded from nematic elastomers to their smectic counterparts. The project combined a battery of imaging techniques to unveil the dynamic properties of the coatings, ranging from the state-of-the-art dynamic holographic microscopy to fluorescent confocal polarizing microscopy and polscope microscopy. The research uncovered potential applications of dynamic elastomer coatings, such as control placement of colloidal particles, engineering of living tissues with alignment patterns of cells that follow the orientational order of elastomer coatings. The approach developed in the project can be used to design programmable dynamic coatings with functionalities that mimic biological tissues such as skin.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Crustal Deformation Associated with Glacial Fluctuations in the Eastern Chugach Mountains, Alaska

The changes of the solid Earth in south central Alaska in response to two major glacial fluctuations on different temporal and spatial scales have been estimated and we evaluated their influence on the stress state and ongoing tectonic deformation of the region. During the recent (1993-1995) Bering Glacier surge, a large transfer of ice from the Bagley Ice Field to the Bering Glacier terminus region occurred. We estimated the elastic displacement of the solid Earth due to ice mass redistribution from Global Positioning System (GPS) measurements at sites near the surging glacier. We can account for these displacements by transfer of an ice volume of about 14 cubic km from the surge reservoir area to the terminus region. We examined the background seismicity (M(sub L) > 2.5) before, during, and after the surge. We found that the occurrence of small earthquakes (M(sub L) < 4.0) in the surge reservoir region increased during the surge time interval possibly in response to a decrease in ice mass. This suggests that a small decrease in the vertical stress, o,3, could be enough to modulate the occurrence of small, shallow earthquakes in this dominantly thrust fault setting. During this century the southern Alaska coastal glaciers have been undergoing an overall decrease in volume. Based on our compilation of changes in the extent and thickness of the coastal glaciers between the Malaspina and Bering, we calculated surface displacements due to the Earth's viscoelastic response to annual thinning and to the cumulative retreat over the last 100 years. The uplift of the region due to an average annual thinning rate of 1-6 m/yr in the ablation region is 1-12 mm/yr. For our reference model with a viscosity of 5 x 10(exp 19) Pa s for depths between approximately equal 40 and 200 km the total viscoelastic response due to the retreat over the last century may be as much as a couple of meters within the coastal ablation zone near Icy Bay. The maximum decrease in sigma(sub V) between 0 and 10 km was approximately equal 1.0 MPa, which is significant in relation to the stress drops in recent earthquakes (approximately 2 to 10 MPa) but small in relation to the estimated tectonic stress magnitude. Therefore the occurrence of an earthquake such as the St. Elias (1979, M(sub S) = 7.2) may have been advanced in time; however, most of the ongoing stress accumulation would be primarily due to tectonic forces.

Sauber, Jeanne↗

DOE OSTI2022

Nuclear properties with semilocal momentum-space regularized chiral interactions beyond N 2 LO

We present a comprehensive investigation of few-nucleon systems as well as light and medium-mass nuclei up to A = 48 using the current Low Energy Nuclear Physics International Collaboration two-nucleon interactions in combination with the third-order (N 2 LO) three-nucleon forces. To address the systematic overbinding of nuclei starting from A ≈ 10 found in our earlier study utilizing the N 2 LO two- and three-nucleon forces, we take into account higher-order corrections to the two-nucleon potentials up through fifth order in chiral effective field theory. Here, the resulting Hamiltonian can be completely determined using the A = 3 binding energies and selected nucleon-deuteron cross sections as input. It is then shown to predict other nucleon-deuteron scattering observables and spectra of light p-shell nuclei, for which a detailed correlated truncation error analysis is performed, in agreement with experimental data. Moreover, the predicted ground state energies of nuclei in the oxygen isotopic chain from 14 O to 26 O as well as 40 Ca and 48 Ca show a remarkably good agreement with experimental values, given that the Hamiltonian is fixed completely from the A ≤ 3 data, once the fourth-order (N 3 LO) corrections to the two-nucleon interactions are taken into account. On the other hand, the charge radii are found to be underpredicted by ≈10% for the oxygen isotopes and by almost 20% for 40 Ca and 48 Ca.

20 ≤ A ≤ 38↗

NASA NTRSDate not supplied

Design of a Thrust Vector Servoelastic Filter for SLS Block 2 Booster Thrust Vector Control System

This paper presents a method to improve the thrust vector servoelastic (TVSE) response of a launch vehicle. TVSE is the coupling between the Thrust Vector Control (TVC) system nozzle dynamics and the vehicle flexible modes. A poorly phased TVC response, i.e. in phase with the structural velocity, can lead to instability of the flexible modes due to the energy injection from the thrust. For large boosters with heavy nozzles, TVSE is more likely to cause instability. This instability is part of the plant dynamics and may not be readily detected by the flight control system. In this paper, TVSE is treated as a disturbance rejection problem with the inertial force of the flexible motion viewed as an external disturbance to the TVC actuator control system. By effectively rejecting this disturbance, the engine can be decoupled from the flexible dynamics thus improving TVSE stability. The actuator disturbance transfer function is modified by inserting a filter into the servo-loop control system. The filter aims to reduce the magnitude and introduce phase lead of the disturbance transfer function over the TVSE sensitive frequency range while maintaining adequate stability margins of the actuator control system. A prefilter is also designed to improve command tracking performance. The filter and prefilter resulting from this method are usually of low order and can be included to an existing actuator controller if the controller is programmable. This method was demonstrated for a hydraulic Simplex actuator model. Its applications to the Space Launch System (SLS) Block 1 and Block 2 TVC actuator are also described. The Block 2 actuator controller was modified based on the results of this method. The tradeoff between TVSE stability and the servo-loop stability can be balanced by adjusting the amount of phase lead introduced by the TVSE filter. This method provides a useful way to solve the TVSE instability issue without costly and time-consuming hardware solutions. This method is based on the basic control principles of loop shaping and disturbance rejection and has been proven to be effective under proper circumstances.

Thrust vector control↗

NASA NTRS2012

The Pursuit of K: Reflections on the Current State-of-the-Art in Stress Intensity Factor Solutions for Practical Aerospace Applications

The elastic stress intensity factor (SIF, commonly denoted as K) is the foundation of practical fracture mechanics (FM) analysis for aircraft structures. This single parameter describes the first-order effects of stress magnitude and distribution as well as the geometry of both structure/component and crack. Hence, the calculation of K is often the most significant step in fatigue analysis based on FM. This presentation will provide several reflections on the current state-of-the-art in SIF solution methods used for practical aerospace applications, including a brief historical perspective, descriptions of some recent and ongoing advances, and comments on some remaining challenges. Newman and Raju made significant early contributions to practical structural analysis by developing closed-form SIF equations for surface and corner cracks in simplified geometries, often based on empirical fits of finite element (FE) solutions. Those solutions (and others like them) were sometimes revised as new analyses were conducted or limitations discovered. The foundational solutions have exhibited striking longevity, despite the relatively "coarse" FE models employed many decades ago. However, in recent years, the accumulation of different generations of solutions for the same nominal geometry has led to some confusion (which solution is correct?), and steady increases in computational capabilities have facilitated the discovery of inaccuracies in some (not all!) of the legacy solutions. Some examples of problems and solutions are presented and discussed, including the challenge of maintaining consistency with legacy design applications. As computational power has increased, the prospect of calculating large numbers of SIF solutions for specific complex geometries with advanced numerical methods has grown more attractive. Fawaz and Andersson, for example, have been generating literally millions of new SIF solutions for different combinations of multiple cracks under simplified loading schemes using p-version FE methods. These data are invaluable, but questions remain about their practical use, because the tabular databases of key results needed to support practical life analysis can occupy gigabytes of storage for only a few classes of geometries. The prospect of using such advanced numerical methods to calculate in real time only those K solutions actually needed to support a specific crack growth analysis is also tempting, but the stark reality is that the computational cost is still so high that the approach is not practical except for specific, critical application problems. Some thoughts are offered about alternative paradigms. Compounding approaches are some of the earliest building blocks of SIF development for more complex geometries. These approaches are especially attractive because of their very low computational cost and their conceptual robustness; they are, in some ways, an intriguing contrast and complement to the brute-force numerical methods. In recent years, researchers at NRC-Canada have published remarkable results showing how compounding approaches can be used to generate accurate solutions for very difficult problems. Examples are provided of some successes--and some limitations--using this approach. These closed-form, tabulated numerical, and compounding approaches have typically been used for simple remote loading with simple load paths to the crack. However, many significant cracks occur in complex stress gradient fields. This is a job for weight function (WF) methods, where the arbitrary stress distribution on the crack plane in the corresponding uncracked body (typically determined using FE methods) is used to determine K. Several significant recent advances in WF methods and solutions are highlighted here. Fueled by advanced 3D numerical methods, many new solutions have been generated for classic geometries such as surface and corner cracks with wide ranges of geometrical validity. A new WF formulation has also be developed for part-through cracks considering the arbitrary stress gradients in all directions in the crack plane (so-called bivariant solutions). Basic WF methods have recently been combined with analytical expressions for crack plane stresses to develop a large family of accurate SIF solutions for corner, surface, and through cracks at internal or external notches with very wide ranges of shapes, sizes, acuities, and offsets. Finally, WF solutions are much faster than FE or boundary element solutions, but can still be much slower than simple closed-form solutions, especially for bivariant solutions that can require 2D numerical integration. Novel pre-integration and dynamic tabular methods have been developed that substantially increase the speed of these advanced WF solutions. The practical utility of advanced SIF methods, including both WF and direct numerical methods, is greatly enhanced if the FM life analysis can be directly and efficiently linked with digital models of the actual structure or component (e.g., FE models for stress analysis). Two recent advances of this type will be described. One approach directly interfaces the FM life analysis with the FE model of the uncracked component (including stress results). Through a powerful graphical user interface, simplified FM life models can be constructed (and visualized) directly on the component model, with the computer collecting the geometry and stress gradient information needed for the life calculation. An even more powerful paradigm uses expert logic to automatically build an optimum simple fracture model at any and every desired location in the component model, perform the life calculation, and even generate fatigue crack growth life contour maps, all with minimal user intervention. This paradigm has also been extended to the automatic calculation of fracture risk, considering uncertainty or variability in key input parameters such as initial crack size or location. Another new integrated approach links the engineering life analysis, the component model, and a 3D numerical fracture analysis built with the same component model to generate a table of SIF values at a specific location that can then be employed efficiently to perform the life calculation. Some attention must be given to verification and validation (V&V) issues and challenges: how good are these SIF solutions, how good is good enough, and does anyone believe the life answer? It is important to think critically about the different sources of error or uncertainty and to perform V&V in a hierarchal, building-block manner. Some accuracy issues for SIF solutions, for example, may actually involve independent material behavior issues, such as constraint loss effects for crack fronts near component surfaces, and can be a source of confusion. Recommendations are proposed for improved V&V approaches. This presentation will briefly but critically survey the range of issues and advances mentioned above, with a particular view towards assembling an integrated approach that combines different methods to create practical tools for real-world design and analysis problems. Examples will be selectively drawn from the recent literature, from recent enhancements in the NASGRO and DARWIN computer codes, and from previously unpublished research

CraigMcClung, R.↗

NASA NTRS1995

Lead-Lag Control for Helicopter Vibration and Noise Reduction

As a helicopter transitions from hover to forward flight, the main rotor blades experience an asymmetry in flow field around the azimuth, with the blade section tangential velocities increasing on the advancing side and decreasing on the retreating side. To compensate for the reduced dynamic pressure on the retreating side, the blade pitch angles over this part of the rotor disk are increased. Eventually, a high enough forward speed is attained to produce compressibility effects on the advancing side of the rotor disk and stall on the retreating side. The onset of these two phenomena drastically increases the rotor vibratory loads and power requirements, thereby effectively establishing a limit on the maximum achievable forward speed. The alleviation of compressibility and stall (and the associated decrease in vibratory loads and power) would potentially result in an increased maximum forward speed. In the past, several methods have been examined and implemented to reduce the vibratory hub loads. Some of these methods are aimed specifically at alleviating vibration at very high flight speeds and increasing the maximum flight speed, while others focus on vibration reduction within the conventional flight envelope. Among the later are several types passive as well as active schemes. Passive schemes include a variety of vibration absorbers such as mechanical springs, pendulums, and bifilar absorbers. These mechanism are easy to design and maintain, but incur significant weight and drag penalties. Among the popular active control schemes in consideration are Higher Harmonic Control (HHC) and Individual Blade Control (IBC). HHC uses a conventional swash plate to generate a multi-cyclic pitch input to the blade. This requires actuators capable of sufficiently high power and bandwidth, increasing the cost and weight of the aircraft. IBC places actuators in the rotating reference frame, requiring the use of slip rings capable of transferring enough power to the actuators. Both schemes cause an increase in pitch link loads. Trailing Edge Flap (TEF) deployment can also used to generate unsteady aerodynamic forces and moments that counter the original vibratory loads, and thereby reduce rotor vibrations. While the vibrations absorbers, HHC, IBC, and TEF concepts discussed above attempt to reduce the vibratory loads, they do not specifically address the phenomena causing the vibrations at high advance ratios. One passive method that attempts to directly alleviate compressibility and stall, instead of reducing the ensuing vibrations, is the use of advanced tip designs. Taper, sweep, anhedral, and the manipulation of other geometric properties of the blade tips can reduce the severity of stall and compressibility effects , as well as reduce rotor power. A completely different approach to solve these problems is the tiltrotor configuration. As the forward velocity of the aircraft increases, the rotors, in this case, are tilted forward until they are perpendicular to the flow and act as propellers. This eliminates the edgewise flow encountered by conventional rotors and circumvents all the problems associated with flow asymmetry. However, the success involves a tremendous increase in cost and complexity of the aircraft. Another possible approach that has been proposed for the alleviation of vibratory loads at high forward flight speeds involves the use of controlled lead-lag motions to reduce the asymmetry in flow. A correctly phased 1/rev controlled lag motion could be introduced such that it produces a backward velocity on the advancing side and a forward velocity on the retreating side, to delay compressibility effects and stall to a higher advance ratio. Using a large enough lead-lag amplitude, the tip velocities could be reduced to levels encountered in hover. This concept was examined by two groups in the 1950's and early 1960's. In the United States, the Research Labs Division of United Aircraft developed a large lead-lag motion rotor, meant to achieve lag motion amplitudes up to 45 degrees. In order to reduce the required actuation force, the blade hinges were moved to 40% of the blade radius to increase the rotating lag frequency to approximately 1/rev. The blade hinges were redesigned to produce a flap-lag coupling so the large flapwise aerodynamic loads could be exploited to actuate the blades in the lag direction. A wind tunnel test of this rotor concept revealed actuation and blade motion scheduling problems. The project was eventually discontinued due to these problems and high blade stresses. Around the same time, at Boelkow in Germany, a similar lead-lag rotor program was conducted under the leadership of Hans Derschmidt. Here, too, the blade hinges were moved outboard to 34% radius to reduce the actuation loads. The main difference between this and the United Aircraft program was the use of a mechanical actuation scheme with maximum lead-lag motions of 400. This program was also discontinued for unclear reasons. The present study is directed toward conducting a comprehensive analytical examination to evaluate the effectiveness of controlled lead-lag motions in reducing vibratory hub loads and increasing maximum flight speed. Since both previous studies on this subject were purely experimental, only a limited data set and physical understanding of the problem was obtained. With the currently available analytical models and computational resources, the present effort is geared toward developing an in-depth physical understanding of the precise underlying mechanisms by which vibration reduction may be achieved. Additionally, in recognition of the fact that large amplitude lead-lag motions would - (i) be difficult to implement, and (ii) produce very large blade stresses; the present study examines the potential of only moderate-to-small lead-lag motions for reduction of vibratory hub loads. Using such an approach, the emphasis is not on eliminating the periodic variations in tangential velocity at the blade tip, but at best reducing these variations slightly so that compressibility and stall are delayed to slightly higher advance ratios. This study was conducted in two steps. In the first step, a hingeless helicopter rotor was modeled using rigid blades undergoing flap-lag-torsion rotations about spring restrained hinges and bearings. This model was then modified by separating the lead-lag degree of freedom into two components, a free and a prescribed motion. Using this model, a parametric study of the effect of phase and amplitude of a prescribed lead-lag motion on hub vibration was conducted. The data gathered was analyzed to obtain an understanding of the basic physics of the problem and show the capability of this method to reduce vibration and expand the flight envelope. In the second half of the study, the similar analysis was conducted using an elastic blade model to confirm the effects predicted by the simpler model.

Gandhi, Farhan↗

NASA NTRS2018

Miniature Exercise Device-2 (MED-2): Preliminary ISS Evaluation Results for a Compact Motorized Resistive and Aerobic Rowing Exercise Device

Future human missions beyond Low Earth Orbit (LEO) will require onboard equipment to provide exercise capabilities for the crew to counter the adverse physiological effects of long-duration microgravity. To accomplish this within the physical constraints of a space vehicle or transit module, a single miniature device that provides both resistive and aerobic exercise modalities is required. To meet this need, Johnson Space Center’s (JSC) Software, Robotics, and Simulation Division (ER) developed the Miniature Exercise Device-2 (MED-2). MED-2 integrates a torque-controlled servomotor and a series-elastic actuator to provide highly-controllable load profiles and a large magnitude output performance in a very small package. This innovative technology is derived from years of JSC/ER design, development and operational experience with cutting-edge robotics, motor controllers, software and actuator/sensor miniaturization, including Robonaut 2 and MED-1. MED-2 was presented at the 2016 ISS R&D Conference. This is an update now that the last of six crewmembers will have completed planned MED-2 sessions on the International Space Station (ISS) in May 2018.Current state-of-the-art ISS exercise equipment consists of two treadmills, a resistive exercise device and two cycle ergometers with a total mass of several thousand pounds and a total volume of several cubic yards. This equipment has proven vital to mitigate the musculoskeletal and cardiovascular degradation effects of microgravity. However, due to the large operational volume and mass of these ISS devices, tailoring them for smaller vehicles, such as Orion, is not possible. In addition, each of the current ISS devices targets a single specific modality. Compared to the existing spaceflight (and even terrestrial) exercise equipment, MED-2 is a new archetype altogether. The combined features of compact size, multi-modality and high-performance is attributable to its innovative series elastic actuator and motor controller. Following its arrival on ISS in 2016, MED-2 was evaluated in two parts. The first and shorter evaluation was an engineering functional checkout of the hardware. As this was a novel exercise device previously never used on ISS, the initial checkout assessed the operation of the hardware and ensured the motion and dynamic range of the crew did not present any collision or other hazards. The second portion of the study collected the heart rates, kinematics and utilized operational volumes of six astronauts to determine the quality of both the resistive and aerobic exercise modalities as delivered by MED-2. Investigators from JSC Biomedical Research and Environmental Science Division (SK) and Glenn Research Center are currently evaluating the data and preparing preliminary results. For the resistive exercise modality, MED-2 demonstrated a range of constant resistive loads from 10-150 lbf. With a displacement range of 84 inches, the MED-2 accommodates users from 5th percentile Japanese female through 95th percentile American male for all of its certified exercises. The displacement measurement accuracy has also been verified within 2.5 percent full range. The crew was able to successfully perform all prescribed resistive exercises, except Goblet Squats which were not feasible with a constant load profile. For the aerobic exercise modality, MED-2 simulated a rowing motion with prescribed and user-selected resistance levels. It has demonstrated rates up to 60 strokes per minute on the ground. MED-2 loads and displacements performance are the same as those cited for the resistive modality. Although each of the crew was able to perform the prescribed aerobic rowing sets, there was considerable variability in the rowing motion among different crewmembers. Also, as expected, the crew was unable to get the full benefits of a typical terrestrial rowing stroke because the current configuration does not allow the user to reach past their feet. These observations have already informed the requirements for other microgravity rowing devices currently in development. One of the unique features of the MED-2 device is the intuitive touch-screen control system. This One Portal graphical user interface (GUI) was developed based on JSC/ER’s heritage knowledge and experience of developing and sustaining the current ISS exercise equipment. Through this interface, the crew easily performed prepared prescriptions as well as had the ability to adjust exercise modality, load and other exercise details such as number of repetitions and number of sets. This touch-screen and GUI fulfilled the MED-2 project goal to simplify the interaction between the user and the device. Furthermore, the extent to which MED-2 utilizes a touchscreen and GUI to control exercise equipment is unmatched among the existing ISS exercise devices. As a motorized device, MED-2 technology can provide a customizable force profile that can be varied as a function of strap displacement, strap velocity or a combination of these and other variables. During 2017, JSC/ER developed and flight-certified a resistive exercise algorithm that mimics the 1-G inertial effects of free-weights and enables adjustable eccentric-to-concentric loading ratios. Subsequent development will explore varying the load profiles and incorporating additional exercises beyond the current list of certified movements.

Exercise↗