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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Nanoparticle Tracking to Probe Transport in Porous Media

From the granular and fractured subsurface environment to highly engineered polymer membranes used in pharmaceutical purification, porous materials are ubiquitous in nature and industrial applications. In particular, porous media are used extensively in processes including water treatment, pharmaceutical sterilization, food/beverage processing and heterogeneous catalysis, where hindered mass transport is either essential to the process or a necessary, but undesirable limitation. Unfortunately, there are currently no universal models capable of predicting mass transport based on a description of the porous material because real porous materials are complex, and because many coupled dynamic mechanisms (e.g. adsorption, steric effects, hydrodynamic effects, electrostatic interactions, etc.) give rise to the observed macroscopic transport phenomena. While classical techniques, like nuclear magnetic resonance and dynamic light scattering, provide useful information about mass transport in porous media at the ensemble level, they provide limited insight into the microscopic mechanisms that give rise to complex phenomena such as anomalous diffusion, hindered pore-space accessibility, and unexpected retention under flow, among many others. To address this issue, we have developed refractive index matching imaging systems, combined with single-particle tracking methods, allowing the direct visualization of single particle motion within a variety of porous materials. Here, we summarize our recent efforts to advance the understanding of nanoparticle transport in porous media using single-particle tracking methods in both fundamental and applied scenarios. First, we describe the basic principles for two-dimensional and three-dimensional single-particle tracking in porous materials. Then, we describe concrete examples of nanoparticle transport in porous materials from two perspectives: (1) understanding fundamental elementary particle transport processes in porous media, including pore accessibility and cavity escape, which limit transport in porous media; (2) facilitating applications in industrial processes, e.g. by understanding the mechanisms of particle fouling and remobilization in filtration membranes. Finally, we provide an outlook of opportunities associated with investigating other types of mass transport in confined environments using single-particle tracking methods, including electrophoretic and self-propelled motion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Interchange Reconnection and Coronal Hole Dynamics

We investigate the effect of magnetic reconnection between open and closed fields, often referred to as interchange reconnection, on the dynamics and topology of coronal hole boundaries. The most important and most prevalent three-dimensional topology of the interchange process is that of a small-scale bipolar magnetic field interacting with a large-scale background field. We determine the evolution of such a magnetic topology by numerical solution of the fully three-dimensional MHD equations in spherical coordinates. First, we calculate the evolution of a small-scale bipole that initially is completely inside an open field region and then is driven across a coronal hole boundary by photospheric motions. Next the reverse situation is calculated in which the bipole is initially inside the closed region and driven toward the coronal hole boundary. In both cases, we find that the stress imparted by the photospheric motions results in deformation of the separatrix surface between the closed field of the bipole and the background field, leading to rapid current sheet formation and to efficient reconnection. When the bipole is inside the open field region, the reconnection is of the interchange type in that it exchanges open and closed fields. We examine, in detail, the topology of the field as the bipole moves across the coronal hole boundary and find that the field remains well connected throughout this process. Our results, therefore, provide essential support for the quasi-steady models of the open field, because in these models the open and closed flux are assumed to remain topologically distinct as the photosphere evolves. Our results also support the uniqueness hypothesis for open field regions as postulated by Antiochos et al. On the other hand, the results argue against models in which open flux is assumed to diffusively penetrate deeply inside the closed field region under a helmet streamer. We discuss the implications of this work for coronal observations.

MHD (MAGNETOHYDRODYNAMICS)↗
NASA NTRS1984

Computer simulation of surface and film processes

All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

Tiller, W. A.↗
NASA NTRS2000

Processes Controlling Water Vapor in the Winter Arctic Stratospheric Middleworld

Abstract: Water vapor in the winter arctic stratospheric middleworld (that part of the stratosphere with potential temperatures lower than the tropical tropopause) is important for two reasons: (1) the arctic middleworld is a source of air for the upper troposphere because of the generally downward motion, and thus its water vapor content helps determine upper tropospheric water, a critical part of the earth's radiation budget; and (2) under appropriate conditions, relative humidities will be large even to the point of stratospheric cirrus cloud formation, leading to the production of active chlorine species that could destroy ozone. On a number of occasions during SOLVE, clouds were observed in the stratospheric middleworld by the DC-8 aircraft. The relationship between ozone and CO from aircraft measurements taken during the early, middle and late part of the winter of 1999-2000 show that recent mixing with tropospheric air extends up to ozone values of about 350-450 ppbv. Above that level, the relationship suggests stratospheric air with minimal tropospheric influence. The transition is quite abrupt, particularly in early spring. Trajectory analyses are consistent with these relationships, with a significant drop-off in the percentage of trajectories with tropospheric PV values in their 10-day history as in-situ ozone increases above 400 ppbv. The water distribution is affected by these mixing characteristics, and by cloud formation. Significant cloud formation along trajectories occurs up to ozone values of about 400 ppbv during the early spring, with small, but nonzero probabilities extending to 550 ppbv. Cloud formation in the stratospheric middleworld is minimal during early and midwinter. Also important is the fact that, during early spring 30% of the trajectories near the tropopause (ozone values less than 200 ppbv) have minimum saturation mixing ratios less than 5 ppmv. Such parcels can mix out into the troposphere and could lead to very dry conditions in the upper troposphere at high latitudes during spring,

Pfister, Leonhard↗
DOE OSTI2023

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Role of Gravity Waves in Determining Cirrus Cloud Properties

Cirrus clouds are important in the Earth's radiation budget. They typically exhibit variable physical properties within a given cloud system and from system to system. Ambient vertical motion is a key factor in determining the cloud properties in most cases. The obvious exception is convectively generated cirrus (anvils), but even in this case, the subsequent cloud evolution is strongly influenced by the ambient vertical motion field. It is well know that gravity waves are ubiquitous in the atmosphere and occur over a wide range of scales and amplitudes. Moreover, researchers have found that inclusion of statistical account of gravity wave effects can markedly improve the realism of simulations of persisting large-scale cirrus cloud features. Here, we use a 1 -dimensional (z) cirrus cloud model, to systematically examine the effects of gravity waves on cirrus cloud properties. The model includes a detailed representation of cloud microphysical processes (bin microphysics and aerosols) and is run at relatively fine vertical resolution so as to adequately resolve nucleation events, and over an extended time span so as to incorporate the passage of multiple gravity waves. The prescribed gravity waves "propagate" at 15 m s (sup -1), with wavelengths from 5 to 100 km, amplitudes range up to 1 m s (sup -1)'. Despite the fact that the net gravity wave vertical motion forcing is zero, it will be shown that the bulk cloud properties, e.g., vertically-integrated ice water path, can differ quite significantly from simulations without gravity waves and that the effects do depend on the wave characteristics. We conclude that account of gravity wave effects is important if large-scale models are to generate realistic cirrus cloud property climatology (statistics).

OCStarr, David↗
NASA NTRS2004

Effects of Cloud-Microphysics on Tropical Atmospheric Hydrologic Processes in the GEOS GCM

The sensitivity of tropical atmospheric hydrologic processes to cloud-microphysics is investigated using the NASA GEOS GCM. Results show that a faster autoconversion - rate produces more warm rain and less clouds at all levels. Fewer clouds enhances longwave cooling and reduces shortwave heating in the upper troposphere, while more warm rain produces increased condensation heating in the lower troposphere. This vertical heating differential destablizes the tropical atmosphere, producing a positive feedback resulting in more rain over the tropics. The feedback is maintained via a two-cell secondary circulation. The lower cell is capped by horizontal divergence and maximum cloud detrainment near the melting/freezing, with rising motion in the warm rain region connected to descending motion in the cold rain region. The upper cell is found above the freezing/melting level, with longwave-induced subsidence in the warm rain and dry regions, coupled to forced ascent in the deep convection region. The tropical large scale circulation is found to be very sensitive to the radiative-dynamic effects induced by changes in autoconversion rate. Reduced cloud-radiation processes feedback due to a faster autoconversion rate results in intermittent but more energetic eastward propagating Madden and Julian Oscillations (MJO). Conversely,-a slower autconversion rate, with increased cloud radiation produces MJO's with more realistic westward propagating transients, resembling a supercloud cluster structure. Results suggests that warm rain and associated low and mid level clouds, i.e., cumulus congestus, may play a critical role in regulating the time-intervals of deep convections and hence the fundamental time scales of the MJO.

Lau, K. M.↗
DOE OSTI2021

Vibronic Excitons and Conical Intersections in Semiconductor Quantum Dots

Surface defects and organic surface-capping ligands affect the photoluminescence properties of semiconductor quantum dots (QDs) by altering the rates of competing nonradiative relaxation processes. In this study, broadband two-dimensional electronic spectroscopy reveals that absorption of light by QDs prepares vibronic excitons, excited states derived from quantum coherent mixing of the core electronic and ligand vibrational states. Rapidly damped coherent wavepacket motions of the ligands are observed during hot-carrier cooling, with vibronic coherence transferred to the photoluminescent state. Furthermore, these findings suggest a many-electron, molecular theory for the electronic structure of QDs, which is supported by calculations of the structures of conical intersections between the exciton potential surfaces of a small ammonia-passivated model CdSe nanoparticle.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Entropic control of the free-energy landscape of an archetypal biomolecular machine

Biomolecular machines are complex macromolecular assemblies that utilize thermal and chemical energy to perform essential, multistep, cellular processes. Despite possessing different architectures and functions, an essential feature of the mechanisms of action of all such machines is that they require dynamic rearrangements of structural components. Surprisingly, biomolecular machines generally possess only a limited set of such motions, suggesting that these dynamics must be repurposed to drive different mechanistic steps. Although ligands that interact with these machines are known to drive such repurposing, the physical and structural mechanisms through which ligands achieve this remain unknown. Using temperature-dependent, single-molecule measurements analyzed with a time-resolution-enhancing algorithm, here, we dissect the free-energy landscape of an archetypal biomolecular machine, the bacterial ribosome, to reveal how its dynamics are repurposed to drive distinct steps during ribosome-catalyzed protein synthesis. Specifically, we show that the free-energy landscape of the ribosome encompasses a network of allosterically coupled structural elements that coordinates the motions of these elements. Moreover, we reveal that ribosomal ligands which participate in disparate steps of the protein synthesis pathway repurpose this network by differentially modulating the structural flexibility of the ribosomal complex (i.e., the entropic component of the free-energy landscape). Here, we propose that such ligand-dependent entropic control of free-energy landscapes has evolved as a general strategy through which ligands may regulate the functions of all biomolecular machines. Such entropic control is therefore an important driver in the evolution of naturally occurring biomolecular machines and a critical consideration for the design of synthetic molecular machines.

Science & Technology - Other Topics↗
DOE OSTI2021

Microcontroller-based aerosol jet printer control software

This software is used with a microcontroller to control an aerosol jet printing system. It was written for a 32-bit ARM microcontroller, providing greater processing speed and complexity relative to more conventional low-cost printer controllers. The microcontroller software was written using a real-time operating system (FreeRTOS), which simplifies parallel operation of multiple functions and further customization. It supports simultaneous motion planning, pulse generation for stepper motors, reading encoder feedback, communicating with multiple mass flow controllers, controlling solid state relays, handling a software-based emergency stop, and sending data to the client PC. The program is written in C and communicates with the client PC via USB connection. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-0436 O

Secor, EthanBenjamin↗
DOE OSTI2024

E-PVT: enhanced position-velocity-time scheduler for computer-controlled optical finishing with comprehensive considerations of dynamics constraints, continuity and efficiency

Deterministic computer-controlled optical finishing is an essential approach for achieving high-quality optical surfaces. Its determinism and convergence rely heavily on precise and smooth motion control to guide the machine tool over an optical surface to correct residual errors. One widely supported and smooth motion control model is position-velocity-time (PVT), which employs piecewise cubic polynomials to describe positions. Our prior research introduced a PVT-based velocity scheduling method, demonstrating sub-nanometer level convergence in ion beam figuring (IBF) processes. However, three challenges remained. Firstly, this method relies on quadratic programming, resulting in computational intensiveness for dense tool paths. Secondly, the dynamics constraints and velocity and acceleration continuities are not comprehensively considered, limiting the full potential of PVT-based control. Thirdly, no compensation mechanism existed when dynamics constraints are exceeded. In this study, in response to these challenges, we proposed the Enhanced PVT (E-PVT) method, reducing the time complexity from O ( n 3 ) to O ( n ) while fully addressing dynamics constraints and continuities. A novel compensation method utilizing particle swarm optimization was proposed to address situations where dynamics constraints might be exceeded while maintaining the overall processing efficiency. Validation through simulation and experimentation confirmed the improved performance of E-PVT.

36 MATERIALS SCIENCE↗
NASA NTRS1979

The solution of the three-dimensional viscous-compressible Navier-Stokes equations on a vector computer

The development of a vectorized computer code for the solution of the three-dimensional viscous-compressible Navier-Stokes equations is described. The code is applied on the CDC STAR-100 vector computer which is capable of achieving high result rates when a high degree of parallelism is present in the computations. The computational technique is an explicit time-split MacCormack predictor-corrector algorithm. Since a large volume of data is processed and virtual memory utilized, a data management scheme based on interleaving is used. The program has been applied to obtain the solution of the laminar supersonic flow about a family of three-dimensional corners. The equations of motion are expressed in a generalized form relative to a uniform rectangular computational domain. The metric coefficient and boundary conditions must be supplied for the corresponding physical domain. For calculations with 30,000 grid points, a computational rate of 0.00015 seconds per grid point per time step is observed.

Smith, R. E.↗
NASA NTRS1980

Local distributed estimation

Based on partial differential equations of motion the closed form solution for the optimal estimation of a spatially continuous state vector is derived, using a continuously distributed sensor. Local control is shown to be the feedback that minimizes a quadratic performance index of sensor and process disturbances. A detailed example of the control of a string in tension is presented.

Schaechter, D. B.↗
NASA NTRS1989

The secondary flow and its stability for natural convection in a tall vertical enclosure

The multicellular flow between two vertical parallel plates is numerically simulated using a time-splitting pseudospectral method. The steady flow of air and the time-periodic flow of oil are investigated, and descriptions of these flows using both physical and spectral approaches are presented. The time dependence of the flow and temperature fields of oil are shown, and the dynamics of the process is discussed. The spectral transfer of energy among the axial modes comprising the flow is explored. The three-dimensional linear stabiltiy of the multicellular air flow is parametrically studied. The domain of stable two-dimensional cellular motion is found to be constrained by the Eckhaus instability and by two types of monotone instability. The two-dimensional multicellular flow is unstable above a Grashof number of about 8550.

Chait, Arnon↗
NASA NTRS1991

Attitude control system conceptual design for the GOES-N spacecraft series

The attitude determination sensing and processing of the system are considered, and inertial reference units, star trackers, and beacons and landmarks are discussed as well as an extended Kalman filter and expected attitude-determination performance. The baseline controller is overviewed, and a spacecraft motion compensation (SMC) algorithm, disturbance environment, and SMC performance expectations are covered. Detailed simulation results are presented, and emphasis is placed on dynamic models, attitude estimation and control, and SMC disturbance accommmodation. It is shown that the attitude control system employing gyro/star tracker sensing and active three-axis control with reaction wheels is capable of maintaining attitude errors of 1.7 microrad or less on all axes in the absence of attitude disturbances, and that the sensor line-of-sight pointing errors can be reduced to 0.1 microrad by SMC.

Markley, F. L.↗
NASA NTRS1992

Observation and theory of the barium releases from the CRRES satellite

The relationship between releases of barium from the NASA Combined Release and Radiation Effects Satellite (CRRES) and enhanced auroral activity is discussed with reference to observational data. Barium releases were conducted at a variety of altitudes and injection velocities, and plasma irregularities are reported as a result of the interactions. Auroral activity increased within 5 min of each release, and references are made to the effects on diamagnetic cavities, bulk ion motion, and stimulated electron and ion precipitation. Artificially created structured diamagnetic cavities are noted for each release, plasma waves are generated by the high-speed ion clouds, and enhanced ionization is found in the critical ionization-velocity process. Barium releases are effective in stimulating electron precipitation, and the observed irregularities are related to cycloid bunching of the initial ion distributions.

Bernhardt, P. A.↗
NASA NTRS1992

CRRES: The combined release and radiation effects satellite program directory

As a result of natural processes, plasma clouds are often injected into the magnetosphere. These chemical releases can be used to study many aspects of such injections. When a dense plasma is injected into the inner magnetosphere, it is expected to take up the motion of the ambient plasma. However, it has been observed in previous releases at moderate altitudes that the cloud preserved its momentum for some time following the release and that parts of the cloud peeled off from the main cloud presumable due to the action of an instability. As one moves outward into the magnetosphere, the mirror force becomes less dominant and the initial conditions following a release are dominated by the formation of a diamagnetic cavity since the initial plasma pressure from the injected Ba ions is greater than the magnetic field energy density. A previous high-altitude release (31,300 km) showed this to be the case initially, but at later times there was evidence for acceleration of the Ba plasma to velocities corresponding to 60,000 K. This effect is not explained. This series of experiments is therefore designed to inject plasma clouds into the magnetosphere under widely varying conditions of magnetic field strength and ambient plasma density. In this way the coupling of injected clouds to the ambient plasma and magnetic field, the formation of striations due to instabilities, and possible heating and acceleration of the injected Ba plasma can be studied over a wide range of magnetosphere parameters. Adding to the scientific yield will be the availability of measurements for the DOD/SPACERAD instruments which can monitor plasma parameters, electric and magnetic fields, and waves before, during and after the releases.

Layman, Laura D.↗
NASA NTRS1992

Neural processing of gravity information

The goal of this project was to use the linear acceleration capabilities of the NASA Vestibular Research Facility (VRF) at Ames Research Center to directly examine encoding of linear accelerations in the vestibular system of the cat. Most previous studies, including my own, have utilized tilt stimuli, which at very low frequencies (e.g., 'static tilt') can be considered a reasonably pure linear acceleration (e.g., 'down'); however, higher frequencies of tilt, necessary for understanding the dynamic processing of linear acceleration information, necessarily involves rotations which can stimulate the semicircular canals. The VRF, particularly the Long Linear Sled, has promise to provide controlled pure linear accelerations at a variety of stimulus frequencies, with no confounding angular motion.

Schor, Robert H.↗