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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Bridging material models across scales: An integrated approach to equation of state and molecular dynamics modeling of copper

New uncertainty-aware equation of state (EOS) and electrical conductivity (EC) models for copper have been developed. The multiphase EOS/EC models are fit to experimental solid/liquid EC isobar measurements as well as density-functional theory molecular dynamics (DFT-MD) EC calculations in both expanded and compressed regimes (0.1–16 g/ cm 3 ⁠). The liquid and solid EOS phases were fit to available experimental data along with additional DFT-MD data over the same range as the EC. Leveraging the DFT-MD data, a corresponding machine-learned interatomic potential (MLIAP) for copper was trained using genetic-algorithm optimization. The copper MLIAP was constrained by EOS shock points at high compressions. The final EOS bounded MLIAP proves to be stable over a large density range (approximately 0.1–20 g/ cm 3 ) with good agreement to an isothermal compression curve, shock Hugoniot, and liquid speed of sound measurements at high pressures (100s of GPa).

Acoustic measurements and instrumentation↗
DOE OSTI2025

Further Development of the Tamped Richtmyer-Meshkov Instability Method and Application to Molybdenum Dynamic Strength Calibration and Tabulation

The high pressure and high strain rate dynamic strength of Mo is experimentally and computationally investigated in the 3–20 GPa stress, 50–600 C temperature, and 10 5 –10 6 /s strain rate regimes using a modified tamped Richtmyer-Meshkov instability (RMI) method. Modifications to the tamped RMI method include a method to determine loading states during strain, a new strength calibration function based on interface shape, and a robust uncertainty quantification method. These modifications improve fidelity of the tamped RMI method, allowing evaluation of the compensating effects of pressure hardening, strain rate hardening, strain hardening, and thermal softening. The new calibration function based on interface shape is not limited to sinusoidal corrugations and could be applied to additional interface shapes. Plate impact experiments are performed at Argonne National Laboratory’s Advanced Photon Source’s Dynamic Compression Sector operated by Washington State University (DCS), driving a planar shock front through a corrugated Mo-D 2 O or Mo-C 8 F 18 interface, forcing the corrugation to significantly deform. The extent of interfacial deformation, RMI growth, is experimentally observed using X-ray phase contrast imaging at the DCS. RMI jet lengths and jet shapes are extracted from the experimental radiographs, then used to calibrate numerical simulations performed with the Sandia National Laboratories (SNL) hydrocode CTH. Mo yield strength, Y, as a function of shock pressure, P, strain rate, $\dot{\varepsilon }$, accumulated strain, ϵ, relative volumetric compression, RD , and temperature, T , is determined for each impact experiment and presented. The calibrated Mo yield strength values range 1.2–1.8 GPa, with strength generally decreasing as the impact stress increases. This trend is likely caused by thermal softening or strain localization. The tabular yield strength versus loading condition data presented in this paper can be used to fit complex strength models.

Voorhees, T. J. [Sandia National Lab. (SNL-CA), Li↗
NASA NTRS1980

Investigation of direct integrated optics modulators

Direct modulation techniques applicable to integrated optics data preprocessors were investigated. Several methods of modulating a coherent optical beam by interaction with an incoherent beam were studied. It was decided to investigate photon induced conductivity changes in thin semiconductor cladding layers on optical waveguides. Preliminary calculations indicate significant changes can be produced in the phase shift in a propagating wave when the conductivity is changed by ten percent or more. Experimental devices to verify these predicted phase changes and experiments designed to prove the concept are described.

Batchman, T. E.↗
DOE OSTI2025

Nonexcitonic mechanism for electronic and structural phase transitions in Ta 2 ⁢Ni⁢(Se,S) 5

Here, we present a first-principles study based on density functional theory (DFT) on the electronic and structural properties of Ta 2 NiSe 5 , a layered transition metal chalcogenide that has been considered as a possible candidate for an excitonic insulator. Our systematic DFT results however provide a nonexcitonic mechanism for the experimentally observed electronic and structural phase transitions in Ta 2 NiSe 5 , in particular explaining why sulfur substitution of selenium reduces the distortion angle in the low-temperature phase and potassium dosing closes the gap in the electronic structure. Moreover, the calculations show that these two effects couple to each other. Further, our first-principles calculations predict several changes in both the crystal structure and electronic structure under the effects of uniform charge dosing and uniaxial strain, which could be tested experimentally.

Tang, Weichen [University of California, Berkeley,↗
DOE OSTI2026

Experimental determination of critical resolved shear stress for strain-induced phase transformation

The current investigation reports the first attempt to measure the critical resolved shear stress to initiates strain-induced phase transformation in a three-dimensional polycrystalline aggregate using high-energy diffraction microscopy (HEDM). In situ tensile testing was performed on a Fe38.5Mn20Co20Cr15Si5Cu1.5 metastable alloy exhibiting transformation-induced plasticity (TRIP). Grains with a higher propensity for strain-induced phase transformation were tracked using HEDM. A sharp drop in grain specific stress, coinciding with the appearance of a new ε-hcp grain oriented relative to the parent γ-fcc phase, was taken as evidence of grain-specific stress required to trigger phase transformation. The highest resolved shear stress on the potential transformation systems was identified as the critical resolved shear stress (CRSS) for strain-induced phase transformation. For the studied metastable alloy, CRSS for transformation was determined to be 86±3 MPa which was very close to theoretical CRSS value determined using Schmid factor (89±12 MPa) compared to the value determined using Taylor factor (62±7 MPa).

Jain, Roopam↗
DOE OSTI2024

Experimental design for the Marine Ice Sheet–Ocean Model Intercomparison Project – phase 2 (MISOMIP2)

The Marine Ice Sheet–Ocean Model Intercomparison Project – phase 2 (MISOMIP2) is a natural progression of previous and ongoing model intercomparison exercises that have focused on the simulation of ice-sheet and ocean processes in Antarctica. The previous exercises motivate the move towards realistic configurations, as well as more diverse model parameters and resolutions. The main objective of MISOMIP2 is to investigate the performance of existing ocean and coupled ice-sheet–ocean models in a range of Antarctic environments through comparisons to observational data. We will assess the status of ice-sheet–ocean modelling as a community and identify common characteristics of models that are best able to capture observed features. As models are highly tuned based on present-day data, we will also compare their sensitivity to prescribed abrupt atmospheric perturbations leading to either very warm or slightly warmer ocean conditions compared to the present day. The approach of MISOMIP2 is to welcome contributions of models as they are, including global and regional configurations, but we request standardized variables and common grids for the outputs. We target the analysis at two specific regions, the Amundsen Sea and the Weddell Sea, since they describe two different ocean environments and have been relatively well observed compared to other areas of Antarctica. An observational “MIPkit” synthesizing existing ocean and ice-sheet observations for a common period is provided to evaluate ocean and ice-sheet models in these two regions.

58 GEOSCIENCES↗
NASA NTRS1982

Feed system design and experimental results in the uhf model study for the proposed Urbana phased array

The effects of atmospheric turbulence and the basis for the coherent scatter radar techniques are discussed. The reasons are given for upgrading the Radar system to a larger steerable array. Phase array theory pertinent to the system design is reviewed, along with approximations for maximum directive gain and blind angles due to mutual coupling. The methods and construction techniques employed in the UHF model study are explained. The antenna range is described, with a block diagram for the mode of operation used.

Loane, J. T.↗
NASA NTRS1996

Fundamental Phenomena on Fuel Decomposition and Boundary-Layer Combustion Precesses with Applications to Hybrid Rocket Motors: Experimental Investigation - Part 1

This final report summarizes the major findings on the subject of 'Fundamental Phenomena on Fuel Decomposition and Boundary-Layer Combustion Processes with Applications to Hybrid Rocket Motors', performed from 1 April 1994 to 30 June 1996. Both experimental results from Task 1 and theoretical/numerical results from Task 2 are reported here in two parts. Part 1 covers the experimental work performed and describes the test facility setup, data reduction techniques employed, and results of the test firings, including effects of operating conditions and fuel additives on solid fuel regression rate and thermal profiles of the condensed phase. Part 2 concerns the theoretical/numerical work. It covers physical modeling of the combustion processes including gas/surface coupling, and radiation effect on regression rate. The numerical solution of the flowfield structure and condensed phase regression behavior are presented. Experimental data from the test firings were used for numerical model validation.

Kuo, Kenneth K.↗
DOE OSTI2026

Light storage, retrieval, and controllable interference in an atomic tripod system

Highly efficient quantum memories are essential for advancing quantum information processing technologies, including scalable quantum computing and quantum networks. We experimentally demonstrate a light storage and retrieval protocol in a tripod system using an ensemble of laser-cooled 87 Rb atoms. The tripod system, which consists of three ground states and an excited state, offers rich dynamics: its use to coherently store and retrieve a weak probe pulse in the 87 Rb 𝐹 = 1 ground-state manifold leads to the interference of two spin-wave excitations during storage time that translate to an interference in the peak intensity of the retrieved probe pulse. Our work shows that these interferences, which manifest when varying the pulse sequence or energy level structure, can be controlled experimentally by varying the storage time, optical phase, and magnetic field strength. Theoretical simulations exhibit excellent agreement with the experimental results. In conclusion, this work demonstrates the rich dynamics and versatile capabilities of atomic tripod systems for light storage and retrieval, with key advantages over conventional Λ systems, highlighting the potential of atomic tripod systems for applications in quantum information processing, quantum synchronization, and atomic memory protocols.

Coherent control↗
NASA NTRS1992

A semi-empirical model for the complete orientation dependence of the growth rate for vapor phase epitaxy - Chloride VPE of GaAs

A semi-empirical model has been developed to determine the complete crystallographic orientation dependence of the growth rate for vapor phase epitaxy (VPE). Previous researchers have been able to determine this dependence for a limited range of orientations; however, our model yields relative growth rate information for any orientation. This model for diamond and zincblende structure materials is based on experimental growth rate data, gas phase diffusion, and surface reactions. Data for GaAs chloride VPE is used to illustrate the model. The resulting growth rate polar diagrams are used in conjunction with Wulff constructions to simulate epitaxial layer shapes as grown on patterned substrates. In general, this model can be applied to a variety of materials and vapor phase epitaxy systems.

Seidel-Salinas, L. K.↗
NASA NTRSDate not supplied

Low-Temperature Formation of Carbonaceous Grains from PAHs

Astronomical observations have detected interstellar carbon in the form of polycyclic aromatic hydrocarbons(PAHs) as well as carbonaceous dust, confirming its presence in both gaseous and solid phases. The goal of this study is to experimentally investigate low-temperature chemical pathways between these two phases in order to better understand the evolution of cosmic carbon. Cosmic dust analogs are produced in the supersonic expansion of an argon jet seeded with aromatic molecules: benzene, naphthalene, anthracene, phenanthrene, and pyrene. These are prototype aromatic molecules of compact and non compact structure, and are used to evaluate the effect of precursor structure on the molecular complexity of the resulting grains. The seeded jet is exposed to an electrical discharge and the carbonaceous grains are collected and probed ex situ via laser desorption mass spectrometry. Mass spectra reveal a rich molecular diversity within the grains, including fragments of the parent molecule but also growth into larger complex organic molecules (COMs). In all experiments, the largest number of products is found in the m/z range 200-250, and C16H10 (attributed to pyrene and/or its isomers) is found to be a dominant product, pointing at the formation of this stable PAH as a preferential route in the growth to larger PAHs. Comparison to mass spectra from the Murchison meteorite reveals a similar dominance of compounds related toC16H10 at m/z = 202. Evidence of the methyl addition-cyclization mechanism in the anthracene experiment is reported. PAH structure is found to impact the dust production yield, as seen by the greater yield for the anthracene compared to the phenanthrene experiment. PAH growth at low temperatures via barrierless routes involving the addition of alkyl- and phenyl-type radicals is suggested as a viable pathway to COMs. These results suggest that PAH growth and dust formation from PAHs are feasible at low temperatures in photon-dominated regions and circumstellar envelopes.

L Gavilan↗
NASA NTRS1973

Advanced study of video signal processing in low signal to noise environments

Conventional analytical techniques used to determine and optimize phase-lock loop (PLL) characteristics are most often based on a model which is valid only if the intermediate frequency (IF) filter bandwidth is large compared to the PLL bandwidth and the phase error is small. An improved model (called the quasi-linear model) is developed which takes into account small IF filter bandwidths and nonlinear effects associated with large phase errors. By comparison of theoretical and experimental results it is demonstrated that the quasi-linear model accurately predicts PLL characteristics. This is true even for small IF filter bandwidths and large phase errors where the conventional model is invalid. The theoretical and experimental results are used to draw conclusions concerning threshold, multiplier output variance, phase error variance, output signal-to-noise ratio, and signal distortion. The relationship between these characteristics and IF filter bandwidth, modulating signal spectrum, and rms deviation is also determined.

Carden, F.↗
NASA NTRS1997

Retrieval of Soil Moisture and Roughness from the Polarimetric Radar Response

The main objective of this investigation was the characterization of soil moisture using imaging radars. In order to accomplish this task, a number of intermediate steps had to be undertaken. In this proposal, the theoretical, numerical, and experimental aspects of electromagnetic scattering from natural surfaces was considered with emphasis on remote sensing of soil moisture. In the general case, the microwave backscatter from natural surfaces is mainly influenced by three major factors: (1) the roughness statistics of the soil surface, (2) soil moisture content, and (3) soil surface cover. First the scattering problem from bare-soil surfaces was considered and a hybrid model that relates the radar backscattering coefficient to soil moisture and surface roughness was developed. This model is based on extensive experimental measurements of the radar polarimetric backscatter response of bare soil surfaces at microwave frequencies over a wide range of moisture conditions and roughness scales in conjunction with existing theoretical surface scattering models in limiting cases (small perturbation, physical optics, and geometrical optics models). Also a simple inversion algorithm capable of providing accurate estimates of soil moisture content and surface rms height from single-frequency multi-polarization radar observations was developed. The accuracy of the model and its inversion algorithm is demonstrated using independent data sets. Next the hybrid model for bare-soil surfaces is made fully polarimetric by incorporating the parameters of the co- and cross-polarized phase difference into the model. Experimental data in conjunction with numerical simulations are used to relate the soil moisture content and surface roughness to the phase difference statistics. For this purpose, a novel numerical scattering simulation for inhomogeneous dielectric random surfaces was developed. Finally the scattering problem of short vegetation cover above a rough soil surface was considered. A general scattering model for grass-blades of arbitrary cross section was developed and incorporated in a first order random media model. The vegetation model and the bare-soil model are combined and the accuracy of the combined model is evaluated against experimental observations from a wheat field over the entire growing season. A complete set of ground-truth data and polarimetric backscatter data were collected. Also an inversion algorithm for estimating soil moisture and surface roughness from multi-polarized multi-frequency observations of vegetation-covered ground is developed.

Sarabandi, Kamal↗
DOE OSTI2026

A Solid State Zwitterionic Plastic Crystal With High Static Dielectric Constant

Solid materials with a high dielectric constant have a wide range of applications in the energy storage field. In this research, an imidazolium-based zwitterion is designed, synthesized, and confirmed to have a plastic crystal phase based on the following experimental and computational evidence: (i) the presence of long-range order with weak intermolecular forces and competing attractive-repulsive interactions along different crystallographic directions; (ii) the observation of more than one endotherm on heating including a solid-solid phase transition at T s-s = −26 °C and melting of the plastic crystal at T m = 72°C; (iii) a low entropy of fusion at melting (2.1 JK −1 mol −1 ); (iv) a strongly anisotropic morphology; (v) relatively fast dynamics originating from short-range degrees of freedom. Furthermore, it exhibits a very high dielectric constant in the plastic crystal solid state (147 at −10°C and 103 at 70°C) due to the rotational degrees of freedom of plastic crystals that arise from weak net intermolecular interactions of zwitterions due to only having two carbons between the anion and cation. This material conveniently remains in the plastic crystal phase within 50 K of ambient temperature. This discovery opens new opportunities in the search for solid-state high dielectric constant materials.

dielectric relaxation↗
DOE OSTI2024

The QCD phase diagram and Beam Energy Scan physics: A theory overview

Herein we review recent theoretical developments relevant to heavy-ion experiments carried out within the Beam Energy Scan program at the Relativistic Heavy Ion Collider. Our main focus is on the description of the dynamics of systems created in heavy-ion collisions and establishing the necessary connection between the experimental observables and the QCD phase diagram.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗