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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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819 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Terahertz conductivity of two-dimensional materials: a review

Two-dimensional (2D) van der Waals materials are shaping the landscape of next-generation devices, offering significant technological value thanks to their unique, tunable, and layer-dependent electronic and optoelectronic properties. Time-domain spectroscopic techniques at terahertz (THz) frequencies offer noninvasive, contact-free methods for characterizing the dynamics of carriers in 2D materials. They also pave the path toward the applications of 2D materials in detection, imaging, manufacturing, and communication within the increasingly important THz frequency range. In this paper, we overview the synthesis of 2D materials and the prominent THz spectroscopy techniques: THz time-domain spectroscopy, optical-pump THz-probe technique, and optical pump–probe THz spectroscopy. Through a confluence of experimental findings, numerical simulation, and theoretical analysis, we present the current understanding of the rich ultrafast physics of technologically significant 2D materials: graphene, transition metal dichalcogenides, MXenes, perovskites, topological 2D materials, and 2D heterostructures. Finally, we offer a perspective on the role of THz characterization in guiding future research and in the quest for ideal 2D materials for new applications.

2D materials↗
DOE OSTI2023

Smart Droplets Stabilized by Designer Surfactants: From Biomimicry to Active Motion to Materials Healing

The science and technologies of emulsion droplets have been a long‐term focus of extensive research endeavors for their practical utility across a breadth of industries, including pharmaceutical products, oil recovery processes, and the food sciences. However, with advances in materials chemistry and characterization tools, new emerging areas are arising with a focus on “smart droplets”. The versatility of emulsion droplets across is based on their ability to partition and create isolated systems with properties defined by the liquid–liquid interface, while preparative routes allow manipulation of droplet size, stability, and encapsulated contents. As described in this article, significant efforts are being devoted to creating new types of droplets by “activating” this interface through the incorporation of reactive structures that trigger droplet response to applied or environmental stimuli (e.g., pH, temperature, salt, or external fields). Moreover, parallels between droplets and live cells inspire efforts to conceive systems that resemble biological motifs or that can produce cellular behaviors that imitate biology (e.g., swarming, communication, or motion). Here, the authors highlight recent advances in smart droplets, with emphasis on organic, polymer, and/or particle surfactants that give rise to inter‐droplet communication (via aggregation, fusion, division, or mass transfer), droplet vehicles for controlled delivery, autonomous droplet motion, and tunable emulsion inversion. Especially emphasized is the macromolecular design to produce reactive and functional surfactants, which are crucial to responsive droplet behavior and their underlying mechanisms. More generally, the exquisite interplay between materials science and biology inspires the review of this research area that provides unique opportunities for insight and inspiration into the capabilities of new droplet designs.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Next-Generation Hard X-ray Missions: SuperHERO and HEROIX

High-energy X-ray observations have transformed our understanding of astrophysical systems where non-thermal processes dominate, from shock-accelerated particles in supernova remnants to relativistic jets and hot coronae in active galactic nuclei. NuSTAR’s pioneering focusing images of the hard X-ray sky have demonstrated the immense scientific potential of this band, while also highlighting how limited angular resolution constrains our ability to fully characterize complex physical processes in faint extended sources and resolving faint sources in crowded sky regions. In this presentation, I will discuss a pathway to overcome these challenges through NASA Marshall Space Flight Center’s replicated NiCo full-shell X-ray mirror technology. Specifically, I will discuss the SuperHERO hard X-ray telescope to achieve better than 10-arcsecond half-power diameter (HPD) angular resolution on a balloon flight observing the Crab Nebula, and the High EneRgy Observatory for Imaging X-rays (HEROIX) Medium-Class Mission concept to achieve an integrated effective area of 570 cm2 at 30 keV with 5 arcsec HPD angular resolution.

AGN↗
NASA NTRSDate not supplied

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES): Thermal Soak Rig (TSR)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility was purpose constructed to perform non-nuclear evaluations of nuclear thermal propulsion (NTP) system fuel materials and structures within prototypic thermochemical environments. This system has been utilized steadily in its ability to subject test specimens to thermochemical and thermohydraulic environments simulating that of an operating nuclear rocket engine. Fission heat is simulated by induction power and experiments are conducted within a ~1000 psi pressure vessel. Hydrogen is conventionally passed through the heated fuel surrogate test specimen while pressure, temperature, and gas species data are collected at various points along the experiment. In order to test fuel and material coupon samples, a class of test apparatus named “immersion rigs” are being developed and employed to more rapidly test these smaller and more technically challenging test specimen. One example of a promising potential fuel structure, Tristructural-isotropic (TRISO) particles, presents unique challenges for testing of this type. TRISO fuel micro-particles are spheroids typically on the order of 500 – 1000 μm in diameter, and exposing a batch sample to hot hydrogen requires purpose-built special test equipment. Thusly, an immersion rig was developed and successfully demonstrated to expose ~1 g of micro-particles to hydrogen gas at temperatures and pressures relevant to NTP systems for the purpose of fuel evaluation. The rig, comprised primarily of graphite and pure tungsten, houses in its core a batch of micro-particles between pucks of porous silicon carbide (SiC). This approach permits gas flow while simultaneously retaining the particles in place. Herein is a discussion of the design, analysis, fabrication, and testing of the NTREES Thermal Soak Rig (TSR).

Space Nuclear Propulsion↗
DOE OSTI2023

Dense nuclear matter equation of state from heavy-ion collisions

The nuclear equation of state (EOS) is at the center of numerous theoretical and experimental efforts in nuclear physics. With advances in microscopic theories for nuclear interactions, the availability of experiments probing nuclear matter under conditions not reached before, endeavors to develop sophisticated and reliable transport simulations to interpret these experiments, and the advent of multi-messenger astronomy, the next decade will bring new opportunities for determining the nuclear matter EOS, elucidating its dependence on density, temperature, and isospin asymmetry. Among controlled terrestrial experiments, collisions of heavy nuclei at intermediate beam energies (from a few tens of MeV/nucleon to about 25 GeV/nucleon in the fixed-target frame) probe the widest ranges of baryon density and temperature, enabling studies of nuclear matter from a few tenths to about 5 times the nuclear saturation density and for temperatures from a few to well above a hundred MeV, respectively. Collisions of neutron-rich isotopes further bring the opportunity to probe effects due to the isospin asymmetry. However, capitalizing on the enormous scientific effort aimed at uncovering the dense nuclear matter EOS, both at RHIC and at FRIB as well as at other international facilities, depends on the continued development of state-of-the-art hadronic transport simulations. Furthermore, this white paper highlights the essential role that heavy-ion collision experiments and hadronic transport simulations play in understanding strong interactions in dense nuclear matter, with an emphasis on how these efforts can be used together with microscopic approaches and neutron star studies to uncover the nuclear EOS.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRSDate not supplied

Accelerating SNP Development with Radiation Source Approximations for Far-Field Environment Modeling

The successful development and deployment of space nuclear power and propulsion technology requires a high-fidelity, efficient means of modeling ex-core radiation fields. Monte Carlo particle transport codes provide enable the highest level of fidelity in radiation field modeling but are inefficient for modeling ex-core radiation without modification. This paper details the development of an approach to ex-core radiation field modeling that maintains the fidelity of a Monte Carlo transport approach without sacrificing computational efficiency. This approach is based on recent improvements to an existing Monte Carlo transport acceleration technique known as surface source banking. As the transport of many particles is required to ensure adequate uncertainty in far field transport, analytical reconstruction techniques are employed to represent surface source banks as sampleable series of distributions in particle phase from which an arbitrarily large number of particles can be generated and simulated. All steps of this approach are incorporated into an AMA model to test both the underlying mathematics of the analytical source reconstruction process, as well as the relevance of the technique as a whole towards SNP applications. These tests demonstrated that this approach is capable of accelerating far-field radiation modeling in SNP-relevant scenarios by factors of at least nine over purely eigenvalue-based scenarios without significantly sacrificing simulation accuracy.

Surface Source Banking↗
NASA NTRS1999

Solid Inflammability Boundary at Low Speed (SIBAL)

This research program is concerned with the effect of low-speed, concurrent flow on the spreading and extinction processes of flames over solid fuels. The primary objective is to verify the theoretically predicted extinction boundary, using oxygen percentage and flow velocity as coordinates. In particular, we are interested in the low-speed quenching limits and the existence of the critical oxygen flammability limit. Detailed flame spread characteristics, including flame spread rate, flame size, and flame structure are sought. Since the predicted flame behavior depends on the inclusion of flame and surface radiation, the measured results will also be used to assess the importance of radiative heat transfer by direct comparison to a comprehensive numerical model. This project passed the Science Concept Review (SCR) in 1996. As a result, the experiment continues on the flight definition path, and is currently scheduled to be performed in the Space Station Combustion Integrated Rack (CIR). We present an overview of recent and ongoing work, including selected experimental and theoretical topics.

James S T'ien↗
NASA NTRS2023

Satellite characterization of global stratospheric sulfate aerosols released by Tonga volcano

Large volcanic eruptions create an enhanced layer of sulfate aerosols in the stratosphere. These sulfuric acid droplets persist for many months, altering the climate and stratospheric chemistry. Sulfate aerosols scatter sunlight back to space, cooling the surface of the Earth and absorb outgoing thermal radiation, heating the stratosphere. The calculation of the climate impact of sulfate aerosols depends on their physical properties such as droplet size and chemical composition. These properties are not well known, and this uncertainty contributes to the errors in climate model predictions. Here we derive the first empirical formula that predicts the composition of stratospheric sulfate aerosols from volcanic eruptions from the air temperature and water vapor pressure. Measurements of atmospheric infrared transmittance of the Hunga Tonga-Hunga Ha'apai sulfate aerosol plume by the Atmospheric Chemistry Experiment (ACE) satellite were analyzed to determine composition (weight percent of sulfuric acid) and median particle radius. These data are supplemented by measurements of the Raikoke and Nabro eruptions. Our analysis allows the properties of volcanic aerosols in the stratosphere to be predicted reliably in atmospheric models.

P Bernath↗
DOE OSTI2025

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Al/Cl2 molten salt battery

Molten salt battery has been developed with theoretical energy density of 5.2 j/kg (650 W-h/lb). Battery, which operates at 150 C, can be used in primary mode or as rechargeable battery. Battery has aluminum anode and chlorine cathode. Electrolyte is mixture of AlCl3, NaCl, and some alkali metal halide such as KCl.

Giner, J.↗
DOE OSTI2025

Unconventional solitonic high-temperature superfluorescence from perovskites

Fast thermal dephasing limits macroscopic quantum phenomena to cryogenic conditions and hinders their use at ambient temperatures. For electronic excitations in condensed media, dephasing is mediated by thermal lattice motion. Therefore, taming the lattice influence is essential for creating collective electronic quantum states at high temperatures. Although there are occasional reports of high-T c quantum effects across different platforms, it is unclear which lattice characteristics and electron–lattice interactions lead to macroscopically coherent electronic states in solids. Here we studied intensity fluctuations in the macroscopic polarization during the emergence of superfluorescence in a lead halide perovskite and showed that spontaneously synchronized polaronic lattice oscillations accompany collective electronic dipole emission. We further developed an effective field model and theoretically confirmed that exciton–lattice interactions lead to a new electronically and structurally entangled coherent extended solitonic state beyond a critical polaron density. The analysis shows a phase transition with two processes happening in tandem: incoherent disordered polaronic lattice deformations establish an order, while macroscopic quantum coherence among excitons simultaneously emerges. Recombination of excitons in this state culminates in superfluorescence at high temperatures. Our study establishes fundamental connections between the transient superfluorescence process observed after the impulsive excitation of perovskites and general equilibrium phase transitions achieved by thermal cooling. By identifying various electron–lattice interactions in the perovskite structure and their respective role in creating collectively coherent electronic effects in solids, our work provides unprecedented insight into the design and development of new materials that exhibit high-temperature macroscopic quantum phenomena.

36 MATERIALS SCIENCE↗
NASA NTRS1963

The Hall Current Plasma Accelerator

A theoretical and experimental investigation has been made of the operation of a relatively new type of plasma accelerator - the Hall Current Accelerator. This device employs the radial component of a fringing magnetic field, a Hall induced current, and an axial discharge to obtain the electromagnetic acceleration of a neutral plasma.

Plasma acceleration↗
DOE OSTI2026

The Future Polarized Target Program at Jefferson Lab

Polarized targets have played a crucial role in Jefferson Lab's exploration of nuclear structure over the past four decades. The three original experimental halls have seen 19 separate installations of polarized solid or gas targets for use in the particle physics scattering experiments, and this trend will continue in the next decade. Five polarized target systems are in preparation for use at JLab in the coming years. Hall B will see the use of two solid polarized targets, one longitudinally polarized to the beam, the other transversely, as well as a novel 3He gas polarized target. In Hall C, new experiments will augment the tensor polarization in dynamically polarized solids. Plans are under development to bring a polarized solid target to Jefferson Lab's photon beam hall, Hall D, for the first time. To support these efforts, the JLab polarized target group is building a test laboratory to develop dynamic nuclear polarization techniques, as well as an apparatus to irradiate target material using electrons from JLab's injector test facility. In this talk, we will explore the development progress and plans for each of these efforts.

Maxwell, James [Thomas Jefferson National Accelera↗
DOE OSTI2025

Collective behavior of “flexicles”

In recent years the functionality of synthetic active microparticles has edged even closer to that of their biological counterparts. However, we still lack the understanding needed to recreate at the microscale key features of autonomous behavior exhibited by microorganisms or swarms of macroscopic robots. In this study, we propose a model for a three-dimensional deformable cellular composite particle consisting of self-propelled rod-shaped colloids confined within a flexible vesicle—representing a superstructure we call a “flexicle” that couples particle deformation to the internal dynamics of the internal active components. Using molecular dynamics simulations, we investigate the collective behavior of dense systems composed of many flexicles. We show that individual flexicles exhibit shape changes upon collisions with other flexicles that lead to rearrangements of the internal active rods, which slows flexicle motion. This shape deformability gives rise to a diverse set of motility-induced phase separation phenomena and the spontaneous flow of flexicles reminiscent of the migration of cells in dense tissues. Our findings establish a foundation for designing responsive, cell-like active particles and developing strategies for controlling swarm migration and other autonomous swarm behaviors at cellular and colloidal scales.

Science & Technology - Other Topics↗
DOE OSTI2023

Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH x (x=0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

Chemistry↗
DOE OSTI2026

The critical role of intrinsic defects and many-body interactions on the stability of MnBi2Te4

Intrinsic antisite defects pose a major challenge to understanding and predicting the exotic properties of the layered topological magnetic insulator MnBi2Te4 (MBT). In this work, we study the origin of the abundance of intrinsic defects in MBT, including many-body defect–defect interactions and many-body electronic correlations. Until now, ab initio methods have struggled to explain thermodynamic stability and properties influenced by defect behavior in MBT. We model native Mn–Bi antisite defects in MBT at finite temperatures using a cluster expansion that includes defect–defect interactions. To overcome the limitations of conventional density functional theory (DFT), we introduce a hybrid approach that incorporates high-accuracy quantum Monte Carlo (QMC) calculations, introducing missing correlations. This strategy allows for accurate estimation of defect energetics and finite-temperature properties. We compute the configurational free energy, defect concentration, and configurational heat capacity, revealing a second-order order–disorder phase transition near the experimental synthesis temperature. Our study provides the first theoretical insight into the thermodynamics of intrinsic defects in MBT. The negative free energy relative to pristine MBT at synthesis temperatures indicates that Mn–Bi antisite formation is thermodynamically spontaneous. We also present a broadly applicable general framework for correcting low-level theoretical theories using highly accurate many-body corrections from QMC.

Ghaffar, Abdul [ORNL] (ORCID:0000000241190168)↗
DOE OSTI2026

Defect-induced displacement of topological surface state in quantum magnet MnBi2Te4

The topological magnet MnBi2⁢Te4 (MBT), with gapped topological surface state, is an attractive platform for realizing quantum anomalous Hall and axion insulator states. However, the experimentally observed surface state gaps fail to meet theoretical predictions, although the exact mechanism behind the gap suppression has been debated. Recent theoretical studies suggest that intrinsic antisite defects push the topological surface state away from the MBT surface, closing its gap and making it less accessible to scanning probe experiments. Here, we report on the local effect of defects on the MBT surface states and demonstrate that high defect concentrations lead to a displacement of the surface states well into the MBT crystal, validating the theorized mechanism. The local and global influence of antisite defects on the topological surface states are studied with samples of varying defect densities by combining scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and density functional theory. Our findings identify a combination of increased defect density and reduced defect spacing as the primary factors underlying the displacement of the surface states and suppression of surface gap, guiding further development of topological quantum materials.

Lupke, Felix [Carnegie Mellon University (CMU)]↗