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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Direct Fabrication of Atomically Defined Pores in MXenes Using Feedback-Driven STEM

Controlled fabrication of nanopores in 2D materials offer the means to create robust membranes needed for ion transport and nanofiltration. Techniques for creating nanopores have relied upon either plasma etching or direct irradiation; however, aberration-corrected scanning transmission electron microscopy (STEM) offers the advantage of combining a sub-Å sized electron beam for atomic manipulation along with atomic resolution imaging. Here, for this work, a method for automated nanopore fabrication is utilized with real-time atomic visualization to enhance the mechanistic understanding of beam-induced transformations. Additionally, an electron beam simulation technique, Electron-Beam Simulator (E-BeamSim) is developed to observe the atomic movements and interactions resulting from electron beam irradiation. Using the MXene Ti 3 C 2 T x , the influence of temperature on nanopore fabrication is explored by tracking atomic transformations and find that at room temperature the electron beam irradiation induces random displacement and results in titanium pileups at the nanopore edge, which is confirmed by E-BeamSim. At elevated temperatures, after removal of the surface functional groups and with the increased mobility of atoms results in atomic transformations that lead to the selective removal of atoms layer by layer. This work can lead to the development of defect engineering techniques within functionalized MXene layers and other 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Breaking adsorption-energy scaling limitations of electrocatalytic nitrate reduction on intermetallic CuPd nanocubes by machine-learned insights

The electrochemical nitrate reduction reaction (NO 3 RR) to ammonia is an essential step toward restoring the globally disrupted nitrogen cycle. In search of highly efficient electrocatalysts, tailoring catalytic sites with ligand and strain effects in random alloys is a common approach but remains limited due to the ubiquitous energy-scaling relations. With interpretable machine learning, we unravel a mechanism of breaking adsorption-energy scaling relations through the site-specific Pauli repulsion interactions of the metal d-states with adsorbate frontier orbitals. The non-scaling behavior can be realized on (100)-type sites of ordered B2 intermetallics, in which the orbital overlap between the hollow *N and subsurface metal atoms is significant while the bridge-bidentate *NO 3 is not directly affected. Among those intermetallics predicted, we synthesize monodisperse ordered B2 CuPd nanocubes that demonstrate high performance for NO 3 RR to ammonia with a Faradaic efficiency of 92.5% at –0.5 V RHE and a yield rate of 6.25 mol h –1 g –1 at –0.6 V RHE . This study provides machine-learned design rules besides the d-band center metrics, paving the path toward data-driven discovery of catalytic materials beyond linear scaling limitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Density functionals combined with van der Waals corrections for graphene adsorbed on layered materials

Standard density functionals like Perdew-Burke-Ernzerhof (PBE) or Strongly Constrained and Appropriately Normed (SCAN) need a correction to account for long-range van der Waals (vdW) interaction. The damped Zaremba-Kohn model (dZK) starts from a formula for the vdW interaction of a distant atom with a solid surface, both with known dielectric properties, damps this formula at short range, and then treats an adsorbed molecule or atomic layer as a collection of renormalized atoms. Here, we extend this model to graphene adsorbed on semiconducting layered materials [bulk graphite and hBN, and multilayer transition metal dichalcogenides (TMD)] by including the C 4 asymptotic term and multiple electrostatic image effects due to the two surfaces of the substrate slabs in the vdW calculations. The resulting SCAN-vdW-dZK and PBE-vdW-dZK give approximately the same results for the systems considered here, in agreement with available reference values. The predicted binding energies are roughly 25% lower than those from SCAN+rVV10 (revised Vydrov and Van Voorhis 2010), and ~15% lower than those from PBE+rVV10. Since SCAN+rVV10 usually overbinds, the predicted binding energies by SCAN-vdW-dZK and PBE-vdW-dZK are expected to be closer to the true values. The predicted equilibrium binding distances from SCAN-vdW-dZK and PBE-vdW-dZK are slightly larger (~ 0.1 Å) than those from SCAN+rVV10, and close to those from SCAN. The binding energy depends upon the number of substrate layers more strongly in vdW-dZK than in rVV10. The C 4 -term contributions can be 40% of the total vdW interactions, and the C 5 term contributes about 10%. The effects of images and the back surfaces of slabs can contribute about 4–10%. The vdW interaction energy power laws from the vdW-dZK model for graphene adsorbed on multilayer MoS 2 show slowly varying decay to the pairwise exponent –4 with increasing separation $\textit{D}$, very similar to those obtained from the random-phase approximation and renormalization group approaches by Ambrosetti et al. Both the PBE-vdW-dZK and SCAN-vdW-dZK give a greater increase in interlayer binding energy when the TMD substrate changes from monolayer to four-layer for the graphene/TMD adsorption systems. This is consistent with the relevant electron-energy-loss spectroscopy experimental results showing increased dielectric response from the substrate with increasing substrate layer number.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

SourceFinder: a Machine-Learning-Based Tool for Identification of Chromosomal, Plasmid, and Bacteriophage Sequences from Assemblies

High-throughput genome sequencing technologies enable the investigation of complex genetic interactions, including the horizontal gene transfer of plasmids and bacteriophages. However, identifying these elements from assembled reads remains challenging due to genome sequence plasticity and the difficulty in assembling complete sequences. In this study, we developed a classifier, using random forest, to identify whether sequences originated from bacterial chromosomes, plasmids, or bacteriophages. The classifier was trained on a diverse collection of 23,211 chromosomal, plasmid, and bacteriophage sequences from hundreds of bacterial species. In order to adapt the classifier to incomplete sequences, each complete sequence was subsampled into 5,000 nucleotide fragments and further subdivided into k-mers. This three-class classifier succeeded in identifying chromosomes, plasmids, and bacteriophages using k-mer distributions of complete and partial genome sequences, including simulated metagenomic scaffolds with minimum performance of 0.939 area under the receiver operating characteristic curve (AUC). This classifier, implemented as SourceFinder, has been made available as an online web service to help the community with predicting the chromosomal, plasmid, and bacteriophage sources of assembled bacterial sequence data (https://cge.food.dtu.dk/services/SourceFinder/).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Light-matter interaction in complex photonics systems: introduction

This feature issue presents original work on light-matter interaction in complex photonics systems, which has been a continuously growing area of optics and photonics, in terms of both importance and breadth. From disordered systems to highly controlled micro- and nanostructures, recent decades have witnessed the onset of random media, photonic crystals, metamaterials, plasmonics, and, more recently, metasurfaces.

42 ENGINEERING↗
NASA NTRS2017

Mars2020 Entry, Descent, and Landing Instrumentation 2 (MEDLI2) Do No Harm Test Series

A total of seventeen instrumented thermal sensor plugs, eight pressure transducers, two heat flux sensors, and one radiometer are planned to be utilized on the Mars 2020 missions thermal protection system (TPS) as part of the Mars Entry, Descent, and Landing Instrumentation II (MEDLI2) project. Of the MEDLI2 instrumentation, eleven instrumented thermal plugs and seven pressure transducers will be installed on the heatshield of the Mars 2020 vehicle while the rest will be installed on the backshell. The goal of the MEDLI2 instrumentation is to directly inform the large performance uncertainties that contribute to the design and validation of a Mars entry system. A better understanding of the entry environment and TPS performance could lead to reduced design margins enabling a greater payload mass-fraction and smaller landing ellipses. To prove that the MEDLI2 system will not degrade the performance of the Mars 2020 TPS, an Aerothermal Do No Harm (DNH) test series was designed and conducted. Like Mars 2020s predecessor, Mars Science Laboratory (MSL), the heatshield material will be Phenolic Impregnated Carbon Ablator (PICA); the Mars 2020 entry conditions are enveloped by the MSL design environments, therefore the development and qualification testing performed during MEDLI is sufficient to show that the similar MEDLI2 heatshield instrumentation will not degrade PICA performance. However, given that MEDLI did not include any backshell instrumentation, the MEDLI2 team was required to design and execute a DNH test series utilizing the backshell TPS material (SLA-561V) with the intended flight sensor suite. To meet the requirements handed down from Mars 2020, the MEDLI2 DNH test series emphasized the interaction between the MEDLI2 sensors and sensing locations with the surrounding backshell TPS and substrucutre. These interactions were characterized by performing environmental testing of four 12 by 12 test panels, which mimicked the construction of the backshell TPS and the integration of the MEDLI2 sensors as seen in Figure 1. The testing included thermal vacuumcycling, random vibration, shock, and arc jet testing. The test panels were fabricated by Lockheed Martin, establishing techniques that will be utilized during the Mars 2020 vehicle installation. Each test panel included one thermal sensor plug (two embedded thermocouples), one heat flux sensor, and multiple pressure port holes for evaluation.This presentation will discuss the planning and execution of the MEDLI2 DNH test series. Selected highlights and results of each environmental test will be presented, and lessons learned will be addressed that will feed forward into the planning for the MEDLI2 flight system certification testing.

backshell↗
DOE OSTI2024

Chiral effective field theory calculation of neutrino reactions in warm neutron-rich matter

Neutrino scattering and absorption rates of relevance to supernovae and neutron star mergers are obtained from nuclear matter dynamical structure functions that encode many-body effects from nuclear mean fields and correlations. In this study, we employ nuclear interactions from chiral effective field theory to calculate the density, spin, isospin, and spin-isospin response functions of warm β-equilibrium nuclear matter. We include corrections to the single-particle energies in the mean field approximation as well as vertex corrections resummed in the random phase approximation (RPA), including both direct and exchange diagrams. We find that correlations included through the RPA redistribute the strength of the response to higher energy for neutrino absorption and lower energy for antineutrino absorption. This tends to suppress the absorption rate of electron neutrinos across all relevant energy scales. In contrast, the inclusion of RPA correlations enhances the electron antineutrino absorption rate at low energy and suppresses the rate at high energy. These effects are especially important at high-density and in the vicinity of the neutrino decoupling region. Implications for heavy element nucleosynthesis, electromagnetic signatures of compact object mergers, supernova dynamics, and neutrino detection from galactic supernovae are discussed briefly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2001

Interaction between vestibulosympathetic and skeletal muscle reflexes on sympathetic activity in humans

Evidence from animals indicates that skeletal muscle afferents activate the vestibular nuclei and that both vestibular and skeletal muscle afferents have inputs to the ventrolateral medulla. The purpose of the present study was to investigate the interaction between the vestibulosympathetic and skeletal muscle reflexes on muscle sympathetic nerve activity (MSNA) and arterial pressure in humans. MSNA, arterial pressure, and heart rate were measured in 17 healthy subjects in the prone position during three experimental trials. The three trials were 2 min of 1) head-down rotation (HDR) to engage the vestibulosympathetic reflex, 2) isometric handgrip (IHG) at 30% maximal voluntary contraction to activate skeletal muscle afferents, and 3) HDR and IHG performed simultaneously. The order of the three trials was randomized. HDR and IHG performed alone increased total MSNA by 46 +/- 16 and 77 +/- 24 units, respectively (P < 0.01). During the HDR plus IHG trial, MSNA increased 142 +/- 38 units (P < 0.01). This increase was not significantly different from the sum of the individual trials (130 +/- 41 units). This finding was also observed with mean arterial pressure (sum = 21 +/- 2 mmHg and HDR + IHG = 22 +/- 2 mmHg). These findings suggest that there is an additive interaction for MSNA and arterial pressure when the vestibulosympathetic and skeletal muscle reflexes are engaged simultaneously in humans. Therefore, no central modulation exists between these two reflexes with regard to MSNA output in humans.

NASA Discipline Neuroscience↗
DOE OSTI2024

Influence of zwitterionic amphiphilic copolymers on heterogeneous gypsum formation: A promising approach for scaling resistance

Here, this study aims to investigate the influence of zwitterionic amphiphilic copolymers (ZACs) in the nucleation and growth of heterogeneous CaSO4 at the zwitterion-water interface, which is crucial for the prevention of mineral scaling and consequent downtime or suboptimal performance in industries like membrane desalination, heat exchangers, and pipeline transportation. In situ grazing incidence small angle X-ray Scattering (GISAXS), and quartz crystal microbalance with dissipation (QCM-D) techniques were used to analyze the evolution of CaSO 4 particles on two new ZAC coatings: poly-(trifluoroethyl methacrylate-random-sulfobetaine methacrylate) (PTFEMA-r-SBMA, or PT:SBMA) and poly(trifluoroethyl methacrylate-random-2-methacryloyloxyethyl phosphorylcholine) (PTFEMA-r-MPC, or PT:MPC). The results showed that PT:MPC coatings promoted nucleation but inhibited crystal growth, resulting in slower overall reaction kinetics on PT:MPC coatings compared to PT:SBMA coatings. Interfacial interactions involving the substrates, sulfate minerals, and ions were examined, revealing that calcium ion adsorption, primarily governed by electrostatic attraction, played a crucial role in the nucleation and growth processes on both ZAC coatings. The crystal characterization revealed a phase transition from bassanite to gypsum on both ZAC coatings, suggesting that these zwitterionic materials can influence the mineral phase of heterogeneously formed CaSO 4 crystals. These findings enhance our understanding of the fundamental mechanisms underlying heterogeneous CaSO 4 scaling in the presence of zwitterionic materials.

42 ENGINEERING↗
DOE OSTI2024

Simulating nonlinear optical processes on a superconducting quantum device

Simulating plasma physics on quantum computers is difficult because most problems of interest are nonlinear, but quantum computers are not naturally suitable for nonlinear operations. In weakly nonlinear regimes, plasma problems can be modelled as wave–wave interactions. In this paper, we develop a quantization approach to convert nonlinear wave–wave interaction problems to Hamiltonian simulation problems. We demonstrate our approach using two qubits on a superconducting device. Unlike a photonic device, a superconducting device does not naturally have the desired interactions in its native Hamiltonian. Nevertheless, Hamiltonian simulations can still be performed by decomposing required unitary operations into native gates. To improve experimental results, we employ a range of error-mitigation techniques. Apart from readout error mitigation, we use randomized compilation to transform undiagnosed coherent errors into well-behaved stochastic Pauli channels. Moreover, to compensate for stochastic noise, we rescale exponentially decaying probability amplitudes using rates measured from cycle benchmarking. We carefully consider how different choices of product-formula algorithms affect the overall error and show how a trade-off can be made to best utilize limited quantum resources. This study provides an example of how plasma problems may be solved on near-term quantum computing platforms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Operator Lévy Flight: Light Cones in Chaotic Long-Range Interacting Systems

We argue that chaotic power-law interacting systems have emergent limits on information propagation, analogous to relativistic light cones, which depend on the spatial dimension d and the exponent α governing the decay of interactions. Using the dephasing nature of quantum chaos, we map the problem to a stochastic model with a known phase diagram. A linear light cone results for α ≥ $\textit{d}$ + 1/2. We also provide a Lévy flight (long-range random walk) interpretation of the results and show consistent numerical data for 1D long-range spin models with 200 sites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1976

Repeated-cascade theory of strong turbulence in a magnetized plasma

A two-dimensional Navier-Stokes equation of vorticity in fluid turbulence is used to model drift turbulence in a plasma with a strong constant magnetic field and a constant mean density gradient. The nonlinear eddy diffusivity is described by a time-integrated Lagrangian correlation of velocities, and the repeated-cascade method is employed to choose the rank accounting for nearest-neighbor interactions, to calculate the Lagrangian correlation, and to close the correlation hierarchy. As a result, the diffusivity becomes dependent on the plasma's induced diffusion and is represented by a memory chain that is cut off by similarity and inertial randomization. Spectral laws relating the kinetic-energy spectrum to the -5, -5/2, -3, and -11 powers of wavenumber are derived for the velocity subranges of production, approach to inertia, inertia, and dissipation, respectively. It is found that the diffusivity is proportional to some inverse power of the magnetic field, that power being 1, 2/3, 5/6, and 2, respectively, for the four velocity subranges.

Tchen, C. M.↗
NASA NTRS1983

Advances and trends in structural and solid mechanics; Proceedings of the Symposium, Washington, DC, October 4-7, 1982

The mechanics of materials and material characterization are considered, taking into account micromechanics, the behavior of steel structures at elevated temperatures, and an anisotropic plasticity model for inelastic multiaxial cyclic deformation. Other topics explored are related to advances and trends in finite element technology, classical analytical techniques and their computer implementation, interactive computing and computational strategies for nonlinear problems, advances and trends in numerical analysis, database management systems and CAD/CAM, space structures and vehicle crashworthiness, beams, plates and fibrous composite structures, design-oriented analysis, artificial intelligence and optimization, contact problems, random waves, and lifetime prediction. Earthquake-resistant structures and other advanced structural applications are also discussed, giving attention to cumulative damage in steel structures subjected to earthquake ground motions, and a mixed domain analysis of nuclear containment structures using impulse functions.

Noor, A. K.↗
NASA NTRS1991

Numerical simulation of swept-wing flows

The transition process characteristics of flows over swept wings were computationally modelled. The crossflow instability and crossflow/T-S wave interaction are analyzed through the numerical solution of the full three dimensional Navier-Stokes equations including unsteadiness, curvature, and sweep. The leading-edge region of a swept wing is considered in a three-dimensional spatial simulation with random disturbances as the initial conditions.

Reed, Helen L.↗
NASA NTRS2000

A Probabilistic Framework for the Validation and Certification of Computer Simulations

The paper presents a methodology for quantifying, propagating, and managing the uncertainty in the data required to initialize computer simulations of complex phenomena. The purpose of the methodology is to permit the quantitative assessment of a certification level to be associated with the predictions from the simulations, as well as the design of a data acquisition strategy to achieve a target level of certification. The value of a methodology that can address the above issues is obvious, specially in light of the trend in the availability of computational resources, as well as the trend in sensor technology. These two trends make it possible to probe physical phenomena both with physical sensors, as well as with complex models, at previously inconceivable levels. With these new abilities arises the need to develop the knowledge to integrate the information from sensors and computer simulations. This is achieved in the present work by tracing both activities back to a level of abstraction that highlights their commonalities, thus allowing them to be manipulated in a mathematically consistent fashion. In particular, the mathematical theory underlying computer simulations has long been associated with partial differential equations and functional analysis concepts such as Hilbert spares and orthogonal projections. By relying on a probabilistic framework for the modeling of data, a Hilbert space framework emerges that permits the modeling of coefficients in the governing equations as random variables, or equivalently, as elements in a Hilbert space. This permits the development of an approximation theory for probabilistic problems that parallels that of deterministic approximation theory. According to this formalism, the solution of the problem is identified by its projection on a basis in the Hilbert space of random variables, as opposed to more traditional techniques where the solution is approximated by its first or second-order statistics. The present representation, in addition to capturing significantly more information than the traditional approach, facilitates the linkage between different interacting stochastic systems as is typically observed in real-life situations.

Ghanem, Roger↗
NASA NTRS2017

MELDI2 Do No Harm Test Series

Mars 2020 will fly the Mars Entry, Descent, and Landing Instrumentation II (MEDLI2) sensor suite consisting of a total of seventeen instrumented thermal sensor plugs, eight pressure transducers, two heat flux sensors, and one radiometer embedded in the thermal protection system (TPS). Of the MEDLI2 instrumentation, eleven instrumented thermal plugs and seven pressure transducers will be installed on the heatshield of the Mars 2020 vehicle while the rest will be installed on the backshell. The goal of the MEDLI2 instrumentation is to directly inform the large performance uncertainties that contribute to the design and validation of a Mars entry system. A better understanding of the entry environment and TPS performance could lead to reduced design margins enabling a greater payload mass-fraction and smaller landing ellipses. To prove that the MEDLI2 system will not degrade the performance of the Mars 2020 TPS, an Aerothermal Do No Harm (DNH) test series was designed and conducted. Like Mars 2020's predecessor, Mars Science Laboratory (MSL), the heatshield material will be Phenolic Impregnated Carbon Ablator (PICA); the Mars 2020 entry conditions are enveloped by the MSL design environments, therefore the development and qualification testing performed during MEDLI is sufficient to show that the similar MEDLI2 heatshield instrumentation will not degrade PICA performance. However, given that MEDLI did not include any backshell instrumentation, the MEDLI2 team was required to design and execute a DNH test series utilizing the backshell TPS material (SLA-561V) with the intended flight sensor suite. To meet the requirements handed down from Mars 2020, the MEDLI2 DNH test series emphasized the interaction between the MEDLI2 sensors and sensing locations with the surrounding backshell TPS and substrucutre. These interactions were characterized by performing environmental testing of four 12" by 12" test panels, which mimicked the construction of the backshell TPS and the integration of the MEDLI2 sensors as seen in Figure 1. The testing included thermal vacuum/ cycling, random vibration, shock, and arc jet testing. The test panels were fabricated by Lockheed Martin, establishing techniques that will be utilized during the Mars 2020 vehicle installation. Each test panel included one thermal sensor plug (two embedded thermocouples), one heat flux sensor, and multiple pressure port holes for evaluation. This presentation will discuss the planning and execution of the MEDLI2 DNH test series. Selected highlights and results of each environmental test will be presented, and lessons learned will be addressed that will feed forward into the planning for the MEDLI2 flight system certification testing.

Heatshield↗
DOE OSTI2019

Distribution of interevent avalanche times in disordered and frustrated spin systems

Hysteresis loops and the associated avalanche statistics of spin systems, such as the random-field Ising and Edwards-Anderson spin-glass models, have been extensively studied. A particular focus has been on self-organized criticality, manifest in power-law distributions of avalanche sizes. Considerably less work has been done on the statistics of the times between avalanches. This paper considers this issue, generalizing the work of Nampoothiri et al. [Phys. Rev. E 96, 032107 (2017)] in one space dimension to higher space dimensions. In addition to the interevent statistics of all avalanches, we also consider what happens when events are restricted to those exceeding a certain threshold size. Doing so raises the possibility of altering the definition of time to count the number of small events between the large ones, which provides for an analog to the concept of natural time introduced by the geophysics community with the goal of predicting patterns in seismic events. Furthermore, we analyze the distribution of time and natural time intervals both in the case of models that include only nearest-neighbor interactions, as well as models with (sparse) long-range couplings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Cosmic ray modulation in a random anisotropic magnetic field

Inhomogeneities of the interplanetary magnetic field can be divided into small scale and large scale ones as may be required by the character of the problem of cosmic ray (CR) propagation. CR propagation in stochastic magnetic fields is of diffusion character. The main contribution into the scattering of CR particles is made by their interaction with inhomogeneities of the magnetic field H which have characteristic dimensions 1 of the order of Larmor radius R=cp/eH of particle (p is the absolute value of particle momentum, e is particle charge, c is velocity of light). Scattering of particles on such inhomogeneities leads to their diffusion mostly along a magnetic field with characteristic dimensions of variation in space exceeding the mean free path.

Dorman, L. I.↗