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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 433 records · Page 24

Modeling Ablation of Fibrous Materials from Bulk to Knudsen Regime

Material-environment interactions are analyzed at microscopic scale to explain the lower than expected density observed by post-flight analysis of the char layer on the Stardust shield. Mass transfer, ablation (oxidation), and surface recession of fibrous material is simulated in 3D using a Monte-Carlo simulation tool. Ablation is found to occur either at the surface or in volume depending on Knudsen and Thiele number values. This study supports the idea of volume ablation followed by possible carbon fiber spallation that may explain post-flight analyses.

Lachaud, Jean↗

Multimodal spectroscopy of order parameter distributions

We present a multimodal spectroscopic paradigm that enables independent measurement of charge and spin degrees of freedom (DOF) in strongly correlated materials. This spin-based technique probes symmetry-specific Hamiltonian parameters by analyzing how the time delay between applied pulses (τ) affects the response. We demonstrate ways in which charge DOF that couple through the quadrupolar interaction (inversion symmetric) can be independently measured even in the presence of large magnetic noise (inversion asymmetric). The method quantifies both the strength of the interactions and their distribution (noise). We provide protocols to directly and independently measure the distribution of interaction strengths, even when the average value of the interaction is zero. By independently measuring distributions of different forms of disorder, this methodology can elucidate which microscopic symmetry drives a phase transition. Here, we discuss potential applications to study complex phase transitions in strongly interacting quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Plasma Surface Interactions: Predicting the Performance and Impact of Dynamic PFC Surfaces

This project focused on the development and integration of high-performance simulation tools to predict the operating behavior of Plasma-Facing Components in magnetic confinement fusion systems. A key objective at Illinois was to assess the impact of the dynamic interplay between the evolving material surface and the magnetized plasma sheath, and characterize the impact of tungsten-based PFCs on plasma contamination, including phenomena such as surface erosion, dynamic recycling of fuel species, and tritium retention, which are critical for the success of future magnetic fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Measurement of 0.511-MeV gamma rays with a balloon-borne Ge/Li/ spectrometer

A collimated high-resolution gamma ray spectrometer was flown on a balloon over Palestine, Texas, on June 10, 1974, to obtain measurements of the terrestrial and extraterrestrial 0.511-MeV gamma rays. The spectrometer consists of four 40-cu-cm Ge(Li) crystals operating in the energy range 0.06-10 MeV; this cluster of detectors is surrounded by a CsI(Na) anticoincidence shield. This system is used primarily to allow measurements of the two escape peaks associated with high-energy gamma ray lines. It also allows a measurement of the background component of the 0.511-MeV flux produced by beta(+) decays in materials inside the CsI(Na) shield. It is shown that the measurements of the atmospheric fluxes are consistent with earlier results after allowance is made for an additional component of the background due to beta(+) decays produced by neutron- and proton-initiated interactions with materials in and near the detector. Results of the extraterrestrial flux require an extensive detailed analysis of the time-varying background because of activation buildup and balloon spatial drifts.

Ling, J. C.↗

A Multiplexed Hybrid Velocimeter

Optical velocimetry systems play a crucial role in studying the dynamic behavior of materials under extreme conditions. Two prominent systems used at the Nevada National Security Site are the velocity interferometer system for any reflector(VISAR) and the photon Doppler velocimeter (PDV) system. Their ability to accurately measure surface motion ranging from 0 to > 20km=s without interacting with material flow enables experimenters to construct thermodynamic equations of state for materials of interest. A number of modifications to VISAR and PDV have taken place over the past five decades, leading to improved performance, increased recording capacity, and a reduction in operational burden. Prior efforts to develop a hybrid velocimeter combining the advantages of both PDV and VISAR into a single diagnostic did not take into account progress in PDV technology or new optical components that had not been developed. This thesis describes the design and implementation of a multiplexed hybrid velocimeter (MHV) based on time-multiplexing techniques, an optical hybrid, and polarization-maintaining fiber and components. Data from experiments, compared with current velocity systems, serve to demonstrate the hybrid's performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Aladyn - Adaptive Neural Network Molecular Dynamics Simulation Code: Computational Materials Mini-Application

This report provides an overview and commands description of the Computational Materials mini-application, Aladyn. Aladyn is a simple molecular dynamics code written in FORTRAN 2008, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of quantum mechanics-based energy calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. The Aladyn code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing many core architectures based on graphic processing units (GPUs). The effort is related to the High Performance Computing Incubator (HPCI) project at NASA Langley Research Center.

Yamakov, Vesselin I.↗

Interaction of gases with lunar materials - Apollo 12, 14, and 16 samples

Surface properties of lunar fines samples from the Apollo 12, 14, and 16 missions have been investigated by studying the adsorption of nitrogen, argon, oxygen, carbon monoxide (all at 77 K), and water vapor (at 20 or 22 C) on the samples. Initially the samples were all nonporous and had a uniformly low specific surface area (0.3 to 0.6 sq m/g). Water interacts strongly with the surface of lunar fines, chemisorbing at low pressures followed by a massive adsorption at high pressures. Nitrogen adsorption measurements after the interaction with water showed that the surface properties had undergone a severe alteration as a result of the attack by water vapor. This alteration consisted of a marked increase in the specific surface area and the creation of a pore system. The results are interpreted on the basis of a penetration of water into the damage tracks.

Holmes, H. F.↗

Challenges and transformative opportunities in superconductor vortex physics

In superconductors, the motion of vortices introduces unwanted dissipation that is disruptive to applications. Fortunately, material defects can immobilize vortices, acting as vortex pinning centers, which engenders dramatic improvements in superconductor material properties and device operation. This has motivated decades of research into developing methods of tailoring the disorder landscape in superconductors to increase the strength of vortex pinning. Yet, efficacious materials engineering still eludes us. The electromagnetic properties of real (disordered) superconducting materials cannot yet be reliably predicted, such that designing superconductors for applications remains a largely inefficient process of trial and error. This is ultimately due to large gaps in our knowledge of vortex dynamics: the field is challenged by the extremely complex interplay between vortex elasticity, vortex-vortex interactions, and material disorder. Here, we review obstacles and recent successes in understanding and controlling vortex dynamics in superconducting materials and devices. We further identify major open questions and discuss opportunities for transformative research in the field. This includes improving our understanding of vortex creep, determining and reaching the ceiling for the critical current, advanced microscopy to garner accurate structure-property relationships, frontiers in predictive simulations and the benefits of artificial intelligence, as well as controlling and exploiting vortices in quantum information applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Theoretical Studies in Very Strongly Correlated Matter

In this Final Technical Report, a summary of research carried out by the PI and his group from 9/1/2006 to 8/31/2023, on developing new approaches to understand very strongly correlated systems is provided. Novel materials where interactions dominate the kinetic energy (due to hopping motion) of electrons, pose a major puzzle in condensed matter systems. These are located in regimes of parameters where traditional theoretical approaches fail, and new concepts and formalisms are called for. In the area of thermal or thermoelectrical transport the PI has found two new formulas for the Seebeck coefficient. These are easier to apply than the general Kubo formulas, and give interesting insights that lead to new directions in the search for better materials for energy harvesting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Propagation velocities of laser-produced plasmas from copper wire targets and water droplets

Experiments were performed to determine the plasma propagation velocities resulting from KrF laser irradiation of copper wire target (75 microns diameter) and water droplets (75 microns diameter) at irradiance levels ranging from 25 to 150 GW/sq cm. Plasma propagation velocities were measured using a streak camera system oriented orthogonally to the high-energy laser propagation axis. Plasma velocities were studied as a function of position in the focused beam. Results show that both the shape of the plasma formation and material removal from the copper wire are different and depend on whether the targets are focused or slightly defocused (approximately = 0.5 mm movement in the beam axis). Plasma formation and its position relative to the target is an important factor in determining the practical focal point during high-energy laser interaction with materials. At irradiance of 100 GW/sq cm, the air plasma has two weak-velocity components which propagate toward and away from the incident laser while a strong-velocity component propagates away from the laser beam as a detonation wave. Comparison of the measured breakdown velocities (in the range of 2.22-2.27 x 10(exp 5) m/s) for air and the value calculated by the nonlinear breakdown wave theory at irradiance of 100 GW/sq cm showed a quantitative agreement within approximately 50% while the linear theory and Gaussian pulse theory failed. The detonation wave velocities of plasma generated from water droplets and copper wire targets for different focused cases were measured and analyzed theoretically. The propagation velocities of laser-induced plasma liquid droplets obtained by previous research are compared with current work.

Song, Kyo-Dong↗

Heterogeneous 3D Morphological Evolution of Ni Microparticles in Molten Salts: Visualized by Operando Synchrotron X-ray Nano-tomography

Ni-based superalloys are promising materials for high-temperature molten salt (MS) energy generation and storage. Studying morphological and chemical evolution of pure Ni in MS provides fundamental knowledge for MS technologies and corrosion mitigation. Here, in this study, real-time 3D morphological changes of Ni microparticles in molten KCl-MgCl 2 were studied by operando synchrotron X-ray nano-tomography at 700°C. Rapid Ni particle agglomeration occurred, without significant chemical reactions, such as oxide or chloride formation. The morphological growth evolved differently from classical coarsening or sintering behaviors and occurred nonuniformly, with other regions showing slight dissolution of Ni. Ni nanoparticles were found to be dispersed in many areas of the samples, either from microparticle dissolution or other radiation-induced nanoparticle formation mechanisms. This study discusses important factors, i.e., thermal gradient, amounts of salt and metals, and radiation effect, that influence morphological changes of materials in MS, critical for fundamental understanding of material–MS interactions as well as for practical applications.

36 MATERIALS SCIENCE↗

Crystal growth of device quality GaAs in space

The present program has been aimed at solving the fundamental and technological problems associated with Crystal Growth of Device Quality in Space. The initial stage of the program was devoted strictly to ground-based research. The unsolved problems associated with the growth of bulk GaAs in the presence of gravitational forces were explored. Reliable chemical, structural and electronic characterization methods were developed which would permit the direct relation of the salient materials parameters (particularly those affected by zero gravity conditions) to the electronic characteristics of single crystal GaAs, in turn to device performance. These relationships are essential for the development of optimum approaches and techniques. It was concluded that the findings on elemental semiconductors Ge and Si regarding crystal growth, segregation, chemical composition, defect interactions, and materials properties-electronic properties relationships are not necessarily applicable to GaAs (and to other semiconductor compounds). In many instances totally unexpected relationships were found to prevail.

Gatos, H. C.↗

Dynamical phase-field model of coupled electronic and structural processes

Abstract Many functional and quantum materials derive their functionality from the responses of both their electronic and lattice subsystems to thermal, electric, and mechanical stimuli or light. Here we propose a dynamical phase-field model for predicting and modeling the dynamics of simultaneous electronic and structural processes and the accompanying mesoscale pattern evolution under static or ultrafast external stimuli. As an illustrative example of application, we study the transient dynamic response of ferroelectric domain walls excited by an ultrafast above-bandgap light pulse. We discover a two-stage relaxational electronic carrier evolution and a structural evolution containing multiple oscillational and relaxational components across picosecond to nanosecond timescales. The phase-field model offers a general theoretical framework which can be applied to a wide range of functional and quantum materials with interactive electronic and lattice orders and phase transitions to understand, predict, and manipulate their ultrafast dynamics and rich mesoscale evolution dynamics of domains, domain walls, and charges.

36 MATERIALS SCIENCE↗

Evaluation of Space Power Materials Flown on the Passive Optical Sample Assembly

Evaluating the performance of materials on the exterior of spacecraft is of continuing interest, particularly in anticipation of those applications that will require a long duration in low Earth orbit. The Passive Optical Sample Assembly (POSA) experiment flown on the exterior of Mir as a risk mitigation experiment for the International Space Station was designed to better understand the interaction of materials with the low Earth orbit environment and to better understand the potential contamination threats that may be present in the vicinity of spacecraft. Deterioration in the optical performance of candidate space power materials due to the low Earth orbit environment, the contamination environment, or both, must be evaluated in order to propose measures to mitigate such deterioration. The thirty two samples of space power materials studied here include solar array blanket materials such as polyimide Kapton H and SiO(x) coated polyimide Kapton H, front surface aluminized sapphire, solar dynamic concentrator materials such as silver on spin coated polyimide and aluminum on spin coated polyimide, CV 1144 silicone, and the thermal control paint Z-93-P. The physical and optical properties that were evaluated prior to and after the POSA flight include mass, total, diffuse, and specular reflectance, solar absorptance, and infrared emittance. Additional post flight evaluation included scanning electron microscopy to observe surface features caused by the low Earth orbit environment and the contamination environment, and variable angle spectroscopic ellipsometry to identify contaminant type and thickness. This paper summarizes the results of pre- and post-flight measurements, identifies the mechanisms responsible for optical properties deterioration, and suggests improvements for the durability of materials in future missions.

Jaworske, Donald A.↗

Nonlocal and nonadiabatic Pauli potential for time-dependent orbital-free density functional theory

Time-dependent orbital-free density functional theory is an efficient ab initio method for calculating the electronic dynamics of large systems. In comparison to standard time-dependent density functional theory, it computes only a single electronic state regardless of system size, but it requires an additional time-dependent Pauli potential term. Herein we propose a nonadiabatic and nonlocal Pauli potential whose main ingredients are the time-dependent particle and current densities. Our calculations of the optical spectra of metallic and semiconductor clusters indicate that nonlocal and nonadiabatic time-dependent orbital-free density functional theory performs accurately for metallic systems and semiquantitatively for semiconductors. This paper opens the door to wide applicability of time-dependent orbital-free density functional theory for nonequilibrium electron and electron-nuclear dynamics of complex materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

AladynPi – Adaptive Neural Network Molecular Dynamics Simulation Code with Physically Informed Potential: Computational Materials Mini-Application

This report provides an overview and description of commands used in the Computational Materials mini-application, AladynPi. AladynPi is an extension of a previously released mini-application, Aladyn (https://github.com/nasa/aladyn; Yamakov, V.I., and Glaessgen, E.H., NASA/TM-2018-220104). Aladyn and AladynPi are basic molecular dynamics codes written in FORTRAN 2003, which are designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory method. An input for the ANN is a set of structure coefficients, characterizing the local atomic environment of each atom, for which the atomic energy is obtained in the ANN inference process. In Aladyn, the ANN gives directly the energy of interatomic interactions. In AladynPi, the ANN gives optimized parameters for a predefined empirical function, known as bond-order-potential (BOP). The parameterized BOP function is then used to calculate the energy. AladynPi code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing manycore architectures based on graphic processing units (GPUs). The effort is supported by the High Performance Computing incubator (HPCi) project at NASA Langley Research Center.

Yamakov, Vesselin I.↗

A Panchromatic View of the Restless SN 2009ip Reveals the Explosive Ejection of a Massive Star Envelope

The double explosion of SN 2009ip in 2012 raises questions about our understanding of the late stages of massive star evolution. Here we present a comprehensive study of SN 2009ip during its remarkable rebrightenings. High-cadence photometric and spectroscopic observations from the GeV to the radio band obtained from a variety of ground-based and space facilities (including the Very Large Array, Swift, Fermi, Hubble Space Telescope, and XMM) constrain SN 2009ip to be a low energy (E (is) approximately 10(exp 50) erg for an ejecta mass approximately 0.5 solar mass) and asymmetric explosion in a complex medium shaped by multiple eruptions of the restless progenitor star. Most of the energy is radiated as a result of the shock breaking out through a dense shell of material located at approximately 5 × 10( exp 14) cm with M approximately 0.1 solar mass, ejected by the precursor outburst approximately 40 days before the major explosion. We interpret the NIR excess of emission as signature of material located further out, the origin of which has to be connected with documented mass-loss episodes in the previous years. Our modeling predicts bright neutrino emission associated with the shock break-out if the cosmic-ray energy is comparable to the radiated energy. We connect this phenomenology with the explosive ejection of the outer layers of the massive progenitor star, which later interacted with material deposited in the surroundings by previous eruptions. Future observations will reveal if the massive luminous progenitor star survived. Irrespective of whether the explosion was terminal, SN 2009ip brought to light the existence of new channels for sustained episodic mass loss, the physical origin of which has yet to be identified.

view↗

A Panchromatic View of the Restless SN 2009ip Reveals the Explosive Ejection of a Massive Star Envelope

The double explosion of SN 2009ip in 2012 raises questions about our understanding of the late stages of massive star evolution. Here we present a comprehensive study of SN 2009ip during its remarkable rebrightenings. High-cadence photometric and spectroscopic observations from the GeV to the radio band obtained from a variety of ground-based and space facilities (including the Very Large Array, Swift, Fermi, Hubble Space Telescope, and XMM) constrain SN 2009ip to be a low energy (E approximating 10(exp 50) ergs for an ejecta mass approximating 0.5 M solar mass) and asymmetric explosion in a complex medium shaped by multiple eruptions of the restless progenitor star. Most of the energy is radiated as a result of the shock breaking out through a dense shell of material located at approximately 5 times 10 (exp 14) cm with M approximating 0.1 solar mass, ejected by the precursor outburst approximately 40 days before the major explosion. We interpret the NIR (Near Infrared) excess of emission as signature of material located further out, the origin of which has to be connected with documented mass-loss episodes in the previous years. Our modeling predicts bright neutrino emission associated with the shock break-out if the cosmic-ray energy is comparable to the radiated energy. We connect this phenomenology with the explosive ejection of the outer layers of the massive progenitor star, which later interacted with material deposited in the surroundings by previous eruptions. Future observations will reveal if the massive luminous progenitor star survived. Irrespective of whether the explosion was terminal, SN 2009ip brought to light the existence of new channels for sustained episodic mass loss, the physical origin of which has yet to be identified.

massive↗