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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Fossilization processes in siliceous thermal springs: trends in preservation along thermal gradients

To enhance our ability to extract palaeobiological and palaeoenvironmental information from ancient thermal spring deposits, we have studied the processes responsible for the development and preservation of stromatolites in modern subaerial thermal spring systems in Yellowstone National Park (USA). We investigated specimens collected from silica-depositing thermal springs along the thermal gradient using petrographic techniques and scanning electron microscopy. Although it is known that thermophilic cyanobacteria control the morphogenesis of thermal spring stromatolites below 73 degrees C, we have found that biofilms which contain filamentous thermophiles contribute to the microstructural development of subaerial geyserites that occur along the inner rims of thermal spring pools and geyser effluents. Biofilms intermittently colonize the surfaces of subaerial geyserites and provide a favoured substrate for opaline silica precipitation. We have also found that the preservation of biotically produced microfabrics of thermal spring sinters reflects dynamic balances between rates of population growth, decomposition of organic matter, silica deposition and early diagenesis. Major trends in preservation of thermophilic organisms along the thermal gradient are defined by differences in the mode of fossilization, including replacement, encrustation and permineralization.

NASA Discipline Exobiology↗
NASA NTRS2022

Mechanically Tunable Radiative Cooling for Adaptive Thermal Control

Passive radiative cooling is currently thefrontier technology in renewable-energy research. Interms of extraterrestrial applications, radiative cooling is a critical component to the thermalmanagement system of a spacecraft, where the extreme environment of space can cause largetemperature variations that can break and damage equipment. For terrestrial applications,nocturnal or daytime radiative cooling is expected to lead to cost-effective passive heatmanagement without the need of inefficient and costly artificial refrigeration technologies.However, most currently available radiative cooling systems cannot be changed dynamically andradiate a constant static amount of thermal power. Dynamically tunable adaptive radiativecooling systems will be a critical development to prolong the lifetime of spacecraft or improvethe efficiency of terrestrial cooling systems. Here we propose stretchable radiative coolingdesigns that can be substantially tuned by using the simple physical mechanism of mechanical strain. When their structure is stretched, the radiated power is significantly reduced. We developa modeling method that can simulate mechanical stretching combined with electromagnetic response to compute the tunable thermal emission of these new adaptive radiative coolingsystems. The presented photonically engineered structures can be used as coatings to achieveefficient adaptive thermal control of various objects in a cost-effective and environmentallyfriendly way. The proposed designs are much simpler to be realized than others found in theliterature and the best design achieves a high thermal emission power with a tunable range on theorder of 132 W/m2.

Andrew Butler↗
DOE OSTI2020

Data Testing of Polyethylene Thermal Scattering Law with New Thermal Epithermal eXperiments (TEX) Plutonium Baseline Benchmark, PU-MET-MIXED-002

Five plutonium baseline experiments completed in September of 2018 from the Thermal Epithermal eXperiments (TEX) program have been accepted by the International Criticality Safety Benchmark Evaluation Project as PU-MET-MIXED-002 and will be included in the 2020 version of the handbook. The experiments were made up of stacked layers of plutonium Zero Power Physics Reactor (ZPPR) plates moderated by polyethylene (PE, chemical formula C2H4) to varying degrees to create configurations with five different neutron spectra, including one fast configuration, one thermal configuration, and three mixed configurations. Calculations of the benchmark show overprediction of k eff when using the most recent release of the Evaluated Nuclear Data File Version B (ENDF/B) library release (VIII.0) cross sections, particularly when compared to the previous ENDF/B-VII.1 results. One potential source of overprediction was hypothesized to be the new Molecular Dynamics (MD) generated PE Thermal Scattering Law (TSL). The overprediction was shown via calculation to not be caused by the new ENDF/B-VIII.0 thermal scattering law, and in fact the overprediction was mitigated by the new PE TSL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Enhancing actuation control in monolithic liquid crystal elastomer films with dual heat and light responsiveness

This study presents a dual heat and light-responsive monolithic liquid crystal elastomers (LCEs) film designed to enhance actuation control. The LCE films were capable of various motion types, including curvature reversal, oscillation, and sustainable flipping. By incorporating an azobenzene compound, the films exhibited additional functionalities such as enhanced curvature reversal, accelerated oscillation, and the ability to lock continuous flipping motion upon light stimulation. Furthermore, by adjusting the aspect ratio (AR) of a single film, different thermal motion states were realized, demonstrating the flexibility of this approach. Observations using an NIR camera confirmed temperature fluctuations corresponding to thermal exchange, and the influence of UV light on motion regulation was quantitatively analyzed. In conclusion, the ability to regulate motion through dual stimuli paves the way for improved dynamic motion control and thermal management in advanced robotic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Combustion Dynamic Characteristics Identification in a 9-point LDI Combustor Under Choked Outlet Boundary Conditions

Combustion dynamics data were collected at the NASA Glenn Research Center's CE-5 flame tube test facility under combustor outlet choked conditions. Two 9-point Swirl-Venturi Lean Direct Injection (SV-LDI) configurations were tested in a rectangular cuboid combustor geometry. Combustion dynamic data were measured at different engine operational conditions up to inlet air pressure and temperature of 24.13 bar and 828 K, respectively. In this study, the effects of acoustic cavity resonance, precessing vortex core (PVC), and non-uniform thermal expansion on the dynamic noise spectrum are identified by comparing the dynamic data that collected at various combustor inlet conditions along with combustor geometric calculations. The results show that the acoustic cavity resonance noises were seen in the counter-rotating pilot configuration but not in the co-rotating pilot configuration. Dynamic pressure noise band at around 0.9 kHz was only detected at the P'41 location (9.8 cm after fuel injector face) but not at the P'42 location (29 cm after the fuel injector face); the amplitude of this noise band depended on the thermal expansion ratio (T4/T3). The noise band at around 1.8 kHz was found to depend on the inlet air pressure or the air density inside the combustor. The PVC frequency was not observed in these two configurations.

lean direct injection↗
DOE OSTI2021

Engineering Thermal Transport across Layered Graphene–MoS 2 Superlattices

Layering two-dimensional van der Waals materials provides a high degree of control over atomic placement, which could enable tailoring of vibrational spectra and heat flow at the sub-nanometer scale. In this work, using spatially resolved ultrafast thermoreflectance and spectroscopy, we uncover the design rules governing cross-plane heat transport in superlattices assembled from monolayers of graphene (G) and MoS 2 (M). Using a combinatorial experimental approach, we probe nine different stacking sequences, G, GG, MG, GGG, GMG, GGMG, GMGG, GMMG, and GMGMG, and identify the effects of vibrational mismatch, interlayer adhesion, and junction asymmetry on thermal transport. Pure G sequences display evidence of quasi-ballistic transport, whereas adding even a single M layer strongly disrupts heat conduction. The experimental data are described well by molecular dynamics simulations, which include thermal expansion, accounting for the effect of finite temperature on the interlayer spacing. The simulations show that an increase of ~2.4% in the layer separation of GMGMG, relative to its value at 300 K, can lead to a doubling of the thermal resistance. Using these design rules, we experimentally demonstrate a five-layer GMGMG superlattice “thermal metamaterial” with an ultralow effective cross-plane thermal conductivity comparable to that of air.

2D materials↗
DOE OSTI2023

Scalable manufacturing of quantum light emitters in silicon under rapid thermal annealing

Quantum light sources play a fundamental role in quantum technologies ranging from quantum networking to quantum sensing and computation. The development of these technologies requires scalable platforms, and the recent discovery of quantum light sources in silicon represents an exciting and promising prospect for scalability. The usual process for creating color centers in silicon involves carbon implantation into silicon, followed by rapid thermal annealing. However, the dependence of critical optical properties, such as the inhomogeneous broadening, the density, and the signal-to-background ratio, on centers implantation steps is poorly understood. We investigate the role of rapid thermal annealing on the dynamic of the formation of single color centers in silicon. We find that the density and the inhomogeneous broadening greatly depend on the annealing time. We attribute the observations to nanoscale thermal processes occurring around single centers and leading to local strain fluctuations. Our experimental observation is supported by theoretical modeling based on first principles calculations. The results indicate that annealing is currently the main step limiting the scalable manufacturing of color centers in silicon.

42 ENGINEERING↗
DOE OSTI2020

Microscopic Mechanisms of Glasslike Lattice Thermal Transport in Cubic Cu 12 Sb 4 S 13 Tetrahedrites

Materials based on cubic tetrahedrites (Cu 12 Sb 4 S 13 ) are useful thermoelectrics with unusual thermal and electrical transport properties, such as very low and nearly temperature-independent lattice thermal conductivity (κ L ). We explain the microscopic origin of the glasslike κ L in Cu 12 Sb 4 S 13 by explicitly treating anharmonicity up to quartic terms for both phonon energies and phonon scattering rates. We show that the strongly unstable phonon modes associated with trigonally coordinated Cu atoms are anharmonically stabilized above approximately 100 K and continue hardening with increasing temperature in accord with experimental data. This temperature-induced hardening effect reduces scattering of heat carrying acoustic modes by reducing the available phase space for three-phonon processes, thereby balancing the conventional ∝ T increase in scattering due to phonon population and yielding nearly temperature independent κ L . Furthermore, we find that very strong phonon broadening leads to a qualitative breakdown of the conventional phonon-gas model and modify the dominant heat transport mechanism from the particlelike phonon wave packet propagation to incoherent contributions described by the off-diagonal terms in the heat-flux operator, which are typically prevailing in glasses and disordered crystals. Furthermore, our work paves the way to a deeper understanding of glasslike thermal conductivity in complex crystals with strong anharmonicity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Two-dimensional model of a Space Station Freedom thermal energy storage canister

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase change salt containment canister. A 2-D, axisymmetric finite difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions and forced convection in the heat engine working fluid. Void shape, location, growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between ground based canister performance (in l-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Kerslake, Thomas W.↗
NASA NTRS1990

Two-dimensional model of a Space Station Freedom thermal energy storage canister

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase-change salt containment canister. A 2-D, axisymmetric finite-difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions, and forced convection in the heat engine working fluid. Void shape, location, and growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between groundbased canister performance (in 1-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Kerslake, Thomas W.↗
DOE OSTI2026

Visualizing Crystallization Dynamics and Transformation Pathways of Disordered Rocksalt Oxides During Thermally Activated Sol–Gel Synthesis

Sol–gel synthesis is a wet-chemical processing route for fabricating functional materials with control over composition and microstructure at relatively low temperatures compared to conventional solid-state synthesis. While sol–gel process initiates with intermixed molecular precursors, the early-stage nucleation pathways are insufficiently understood. Here, in this study, the chemical and structural transformation of ion disordered rocksalt (DRX) Li 1.2 Mn 0.4 Ti 0.4 O 2 (LMTO), a promising cathode material for lithium batteries, is studied by multiscale characterizations. In situ heating transmission electron microscopy (TEM) using a liquid cell visualizes and identifies crystallization pathways at the nanoscale. While some regions follow a classical multi-step transition through thermodynamically stable intermediates, others exhibit a kinetic shortcut via a localized amorphous matrix to directly form the DRX structure. Macroscale Fourier transform infrared spectroscopy corroborates the findings and reveals that transition metal ions are more strongly incorporated into the acetate-coordinated network than lithium. Although in situ heating TEM captures diverse local transformation pathways, in situ synchrotron X-ray diffraction indicates that the macroscopic transformation proceeds predominantly through spinel LMTO and lithium titanates toward DRX-LMTO. The findings uncover the spatiotemporal chemical and structural transformations in sol–gel derived DRX-LMTO materials, and call for fine-tuning of such sol–gel chemistries to manipulate the crystallization pathways and achieve target material homogeneity more efficiently.

cathode material↗
DOE OSTI2023

Size-Dependent Thermal Shifts to MOF Nanocrystal Optical Gaps Induced by Dynamic Bonding

Conventional semiconductor nanocrystals exhibit wide-ranging optical behavior, whereas the size-dependent photophysical properties of metal–organic framework (MOF) nanocrystals remain an open research frontier. Furthermore, we present size- and temperature-dependent optical absorption spectra of common MOFs with particle sizes ranging from tens of nanometers to several micrometers. All materials exhibit optical gaps that decrease at elevated temperatures, which we attribute to the dynamic nature of MOF metal–linker bonds. Accordingly, whereas the labile titanium–carboxylate bonds of MIL-125 give rise to bandgaps that red-shift by ~600 meV over 300 K, the more rigid zinc–imidazolate bonds of ZIF-8 produce a red-shift of only ~10 meV. Furthermore, smaller particles induce far larger decreases to optical gaps. Taken together, these results suggest MOF bonding becomes more flexible with smaller nanocrystal sizes, offering a powerful tool for manipulating optical behavior through composition, temperature, and dimensionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Abstract For a small fraction of hot CO 2 molecules immersed in a liquid‐phase CO 2 thermal bath, classical cavity molecular dynamics simulations show that forming collective vibrational strong coupling (VSC) between the C=O asymmetric stretch of CO 2 molecules and a cavity mode accelerates hot‐molecule relaxation. This acceleration stems from the fact that polaritons can be transiently excited during the nonequilibrium process, which facilitates intermolecular vibrational energy transfer. The VSC effects on these rates 1) resonantly depend on the cavity mode detuning, 2) cooperatively depend on Rabi splitting, and 3) collectively scale with the number of hot molecules. For larger cavity volumes, the average VSC effect per molecule can remain meaningful for up to N ≈10 4 molecules forming VSC. Moreover, the transiently excited lower polariton prefers to relax by transferring its energy to the tail of the molecular energy distribution rather than distributing it equally to all thermal molecules. As far as the parameter dependence is concerned, the vibrational relaxation data presented here appear analogous to VSC catalysis in Fabry–Pérot microcavities.

Li, Tao E.↗
DOE OSTI2021

Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Abstract For a small fraction of hot CO 2 molecules immersed in a liquid‐phase CO 2 thermal bath, classical cavity molecular dynamics simulations show that forming collective vibrational strong coupling (VSC) between the C=O asymmetric stretch of CO 2 molecules and a cavity mode accelerates hot‐molecule relaxation. This acceleration stems from the fact that polaritons can be transiently excited during the nonequilibrium process, which facilitates intermolecular vibrational energy transfer. The VSC effects on these rates 1) resonantly depend on the cavity mode detuning, 2) cooperatively depend on Rabi splitting, and 3) collectively scale with the number of hot molecules. For larger cavity volumes, the average VSC effect per molecule can remain meaningful for up to N ≈10 4 molecules forming VSC. Moreover, the transiently excited lower polariton prefers to relax by transferring its energy to the tail of the molecular energy distribution rather than distributing it equally to all thermal molecules. As far as the parameter dependence is concerned, the vibrational relaxation data presented here appear analogous to VSC catalysis in Fabry–Pérot microcavities.

Li, Tao E.↗
DOE OSTI2026

Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling as Catalysts for Next-Generation Breakthroughs

The Presidential Symposium (PRES) at the 2025 Fall Meeting, hosted by the President’s Office and Energy and Fuels Division, American Chemical Society (ACS) in Washington, DC, brought together a diverse group of chemists, engineers, and materials scientists working in battery materials & systems, automation and artificial intelligence from academia, industry, and national laboratories. The accelerating demand for high-performance, scalable, and sustainable energy storage has catalyzed a paradigm shift in how materials are dis-covered, devices are engineered, and systems are optimized. This Presidential Symposium, entitled “Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling Driving Next-Gen Breakthroughs”, brings together global leaders to unveil transformative strategies anchored in the AAA framework: Artificial Intelligence, Automation, and Advanced Modeling. Artificial Intelligence is redefining the frontiers of energy storage by enabling predictive design, real-time optimization, and intelligent control across diverse chemistries and architectures. Automation is streamlining the synthesis, characterization, and testing of battery materials, dramatically accelerating innovation cycles and unlocking scalable solutions for grid and mobility applications. Advanced Modeling, spanning atomic to system-level scales, provides unprecedented insight into electrochemical dynamics, degradation pathways, and thermal behavior, particularly when coupled with physics-informed machine learning and digital twin technologies. Digital twins, in turn, leverage the AAA framework by integrating real-time data, physics-based models, and AI predictions into dynamic virtual replicas, enabling proactive diagnostics, optimization, and system resilience. Together, these synergistic pillars are not only re-shaping the scientific landscape but also forging a new era of reproducible, data-driven, and resilient energy storage innovation. In conclusion, this symposium marks a pivotal moment in the convergence of computational intelligence and experimental rigor, charting the course for next-generation breakthroughs in lithium-ion, solid-state, and flow battery technologies.

Artificial Intelligence (AI)↗
DOE OSTI2023

Accelerating Quantum Materials Development with Advances in Transmission Electron Microscopy

Quantum materials are driving a technology revolution in sensing, communication, and computing, while simultaneously testing many core theories of the past century. Materials such as topological insulators, complex oxides, superconductors, quantum dots, color center-hosting semiconductors, and other types of strongly correlated materials can exhibit exotic properties such as edge conductivity, multiferroicity, magnetoresistance, superconductivity, single photon emission, and optical-spin locking. These emergent properties arise and depend strongly on the material’s detailed atomic-scale structure, including atomic defects, dopants, and lattice stacking. In this review, we describe how progress in the field of electron microscopy (EM), including in situ and in operando EM, can accelerate advances in quantum materials and quantum excitations. We begin by describing fundamental EM principles and operation modes. We then discuss various EM methods such as (i) EM spectroscopies, including electron energy loss spectroscopy (EELS), cathodoluminescence (CL), and electron energy gain spectroscopy (EEGS); (ii) four-dimensional scanning transmission electron microscopy (4D-STEM); (iii) dynamic and ultrafast EM (UEM); (iv) complementary ultrafast spectroscopies (UED, XFEL); and (v) atomic electron tomography (AET). We describe how these methods could inform structure–function relations in quantum materials down to the picometer scale and femtosecond time resolution, and how they enable precision positioning of atomic defects and high-resolution manipulation of quantum materials. For each method, we also describe existing limitations to solve open quantum mechanical questions, and how they might be addressed to accelerate progress. Among numerous notable results, our review highlights how EM is enabling identification of the 3D structure of quantum defects; measuring reversible and metastable dynamics of quantum excitations; mapping exciton states and single photon emission; measuring nanoscale thermal transport and coupled excitation dynamics; and measuring the internal electric field and charge density distribution of quantum heterointerfaces- all at the quantum materials’ intrinsic atomic and near atomic-length scale. Finally, we conclude by describing open challenges for the future, including achieving stable sample holders for ultralow temperature (below 10K) atomic-scale spatial resolution, stable spectrometers that enable meV energy resolution, and high-resolution, dynamic mapping of magnetic and spin fields. With atomic manipulation and ultrafast characterization enabled by EM, quantum materials will be poised to integrate into many of the sustainable and energy-efficient technologies needed for the 21st century.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Lattice thermal transport in two-dimensional alloys and fractal heterostructures

Abstract Engineering thermal transport in two dimensional materials, alloys and heterostructures is critical for the design of next-generation flexible optoelectronic and energy harvesting devices. Direct experimental characterization of lattice thermal conductivity in these ultra-thin systems is challenging and the impact of dopant atoms and hetero-phase interfaces, introduced unintentionally during synthesis or as part of deliberate material design, on thermal transport properties is not understood. Here, we use non-equilibrium molecular dynamics simulations to calculate lattice thermal conductivity of $${\mathrm {(Mo|W)Se_2}}$$ ( Mo | W ) Se 2 monolayer crystals including $${\mathrm {Mo}}_{1-x}{\mathrm {W}}_x{\mathrm {Se_2}}$$ Mo 1 - x W x Se 2 alloys with substitutional point defects, periodic $${\mathrm {MoSe_2}|\mathrm {WSe_2}}$$ MoSe 2 | WSe 2 heterostructures with characteristic length scales and scale-free fractal $${\mathrm {MoSe_2}}|{\mathrm {WSe_2}}$$ MoSe 2 | WSe 2 heterostructures. Each of these features has a distinct effect on phonon propagation in the crystal, which can be used to design fractal and periodic alloy structures with highly tunable thermal conductivities. This control over lattice thermal conductivity will enable applications ranging from thermal barriers to thermoelectrics.

42 ENGINEERING↗