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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Holistic energy analysis method for thermal management architectures of data centers

Modern high-performance computing (HPC) data centers (DCs), particularly those supporting energy-intensive artificial intelligence (AI) workloads, face escalating thermal management challenges that degrade performance through thermal throttling and drive up cooling power consumption and operational costs. To address this challenge, many have developed a wide variety of thermal management solutions (single-phase, two-phase, direct, indirect, hybrid, and more) which attempt to cool HPC DCs effectively while attempting to minimize overall system power consumption. However, the analysis of these solutions and methods to effectively compare one with another is lacking. Overall power usage effectiveness (PUE) and total-power usage effectiveness (TUE) provide a metric to quantify power consumption but fail to identify components in the system which require further optimization. To address this, we propose a holistic analytical framework – the waterfall diagram (WFD) – which leverages a waterfall chart methodology, offering a comprehensive visualization of both the thermal management system loop and heat flow pathways from individual server components to the outdoor ambient. Use of the WFD enables graphical estimations of power efficiency and cooling performance across each component of a DC cooling system and complements Sankey-style energy flow visualizations by additionally resolving stage-wise temperature changes and incremental TUE contributions. The framework is used in conjunction with simulation-based approaches, to conduct a detailed pressure drop and flow distribution analysis aimed at identifying the optimal coolant distribution architecture for a single-phase direct-to-chip water-cooled DC, which serves as the baseline for subsequent WFD analysis. Among the evaluated architectures, the 3 U modular coolant distribution architecture is found to demonstrate the best performance, considering minimal pressure drop and uniform flow distribution. In addition, TUE is calculated for each cooling loop component based on its associated pressure drop and corresponding pumping power, which are integrated into the WFD. This correlation between TUE and local temperature offers immediate insight into the power efficiency and thermal performance contributions of individual components, facilitating further development and optimization. Examples of WFD applications are presented under varying thermal loads and ambient conditions, demonstrating reasonable cooling strategies. Notably, the 3 U modular architecture maintains a consistent chip case temperature of 85°C, achieving a TUE of 1.016 at ambient temperature of 47°C, and a TUE of 1.026 at ambient temperature of 52°C. The WFD methodology provides an efficient, holistic, and streamlined framework for DC thermal management architecture assessment and enables design optimization which is important for addressing the thermal-fluidic energy challenges of current and next-generation DCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Viscoelastic Damping and Wave Cutoff of Titanium Alloy and Lattices

Here, the 3D-printed titanium alloy Ti5553 solid and octet truss lattice specimens are studied via resonant ultrasound spectroscopy, free decay of vibration and quasi-static methods to determine viscoelastic damping. Damping in solid alloy and a lattice is between 10 -4 and 10 -3 . Much of the damping at high sonic frequency is attributed to stress-induced heat flow between heterogeneities due to 3D printing. Pulsed wave ultrasound experiments disclose reverberation in the cell structure of the lattice. Continuous wave ultrasound experiments show that the transmissibility in the lattice rolls off beginning at about 50 kHz and becomes negligible above 110 kHz. By contrast, the polymer polymethyl methacrylate (PMMA), though it is viscoelastic, readily transmits waves up to 1 MHz. The cutoff frequency in the lattice is associated with the structure size, not intrinsic damping in the alloy. The octet truss lattice, in addition to providing good mechanical performance, is also an ultrasonic metamaterial.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Highly Ordered Eutectic Mesostructures via Template‐Directed Solidification within Thermally Engineered Templates

Template-directed self-assembly of solidifying eutectics results in emergence of unique microstructures due to diffusion constraints and thermal gradients imposed by the template. Here, the importance of selecting the template material based on its conductivity to control heat transfer between the template and the solidifying eutectic, and thus the thermal gradients near the solidification front, is demonstrated. Simulations elucidate the relationship between the thermal properties of the eutectic and template and the resultant microstructure. The overarching finding is that templates with low thermal conductivities are generally advantageous for forming highly organized microstructures. When electrochemically porosified silicon pillars (thermal conductivity < 0.3 Wm −1 K −1 ) are used as the template into which an AgCl-KCl eutectic is solidified, 99% of the unit cells in the solidified structure exhibit the same pattern. In contrast, when higher thermal conductivity crystalline silicon pillars (≈100 Wm −1 K −1 ) are utilized, the expected pattern is only present in 50% of the unit cells. The thermally engineered template results in mesostructures with tunable optical properties and reflectances nearly identical to the simulated reflectances of perfect structures, indicating highly ordered patterns are formed over large areas. This work highlights the importance of controlling heat flows in template-directed self-assembly of eutectics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

LX-17 Thermal Decomposition-Characterization of Solid Residues from Cook-Off in a Small-Scale Vessel Under Confinement

Concerns surround whether insensitive (or any) energetic materials are more dangerous to handle when exposed to abnormal thermal environments. This study characterizes the residual material remaining after LX-17 (92.5 % 1,3,5-triamino 2,4,6-trinitro benzene (TATB) and 7.5 % Kel-F) is exposed to various thermal environments in a sealed small-scale vessel cook-off test reactor (heated at 0.1 to 100 °C/min until the reactor opened at 3000 psi (20.7 MPa)). Previous work has shown no additional sensitivity of these residues as evaluated by small-scale safety analysis, but characterization on the molecular scale indicates the TATB is transformed to more reactive compounds as well as the residue could be precursors to toxic gases. The solids and chars were characterized by various analytical methods. Heat-flow measurements indicated exothermic release is due to a mixture of residual TATB and related decomposition products (which may be more energetic). The N/C and O/N ratios indicated a material much more degraded than TATB. Primarily, the solids were a network of amorphous C inter-dispersed with N and O. Types of bonding include C–C, C–N, N–H, N–C, N=C, N≡C, C–O=, and –OH. Solvent extracts of the solids showed TATB decomposition intermediates benzo-furazans and benzo-furoxans, substituted TATB (mono-nitroso, hydroxyl, and chlorinated) along with several unidentified smaller molecules. These results indicate thermal treatment produces an amorphous carbon residue with heteroatoms incorporated through differing functionality, varying depending upon the thermal severity of exposure. These structures also could further decompose producing toxic light gases (such as cyanide).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

TATB thermal decomposition: Expanding the molecular profile with cryo-focused pyrolysis GC-MS

Understanding the molecular composition of high explosives during thermal decomposition is vital for predicting the sensitivity, safety, and performance of explosive materials. The thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has been linked to the formation of furazans through a series of dehydration reactions of the NO2 and NH2 groups on the phenyl ring, along with breakdown into small molecules (≤120 amu). Molecular identification of compounds formed in this transformation of the furazans to light gases has been lacking. To address this, we have applied a pseudo-confined sampling system in a cryo-focused pyrolysis gas chromatography-mass spectrometry (pyGC-MS) system to molecularly identify these intermediates. By design, sublimation of TATB, which has complicated MS analyses of thermal degradation, was significantly reduced and additional compounds were identified with potential structural information. In addition to the known furazan compounds, one of these compounds forms from the loss of oxygen from benzo-trifurazan (F3) and produces an open ring structure that may be the first step in the formation of lower molecular weight furazan breakdown products. The loss of a nitro group from benzo-monofurazan (F1) was also discovered and implicates the formation of oxidizing NO2 gas in the thermal decomposition mechanism. So these findings are vital for understanding the proper heat flow from energetic materials on a molecular level, necessary when measuring enthalpy and developing decomposition models based on kinetic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Effect of Sample Mass, Confinement, and Preheating Time on the Thermal Response of LLM‐105: Experiments and Kinetic Analysis

Various small-scale experiments were performed to provide data for developing a model to predict the thermal response of LLM-105 over a wide range of conditions. The thermal decomposition of LLM-105 was studied as a function of sample mass, confinement of volatile products, and preheating time in both isothermal and ramped heating experiments. The thermal decomposition of LLM-105 is a two-step process, as shown by the two exothermic peaks in the heat flow profiles, which were fitted to two nth-order autocatalytic reaction models with a similar activation energy of ∼289 kJ/mol. The magnitude and shape of these peaks varied with sample mass and confinement. Increasing sample mass enhanced the second exotherm with respect to the first one, while increasing the level of confinement promoted a transition from a sublimation-dominated regime towards thermal decomposition. The effect of LLM-105 particle size on the rate of weight loss was evident for open-pan experiments, where bigger particles sublimed at lower temperatures than smaller particles. Thermal response and solid residue composition of LLM-105 samples were analyzed following preheating for different durations. Longer preheating times caused a shift of the second exotherm to lower temperatures and a decrease in the reaction enthalpy, confirming that LLM-105 decay is a consecutive reaction mechanism, probably autocatalytic. In conclusion, the kinetic model derived from ramped experiments was validated against the measured LLM-105 fraction remaining and the enthalpy remaining of the solid residue as a function of preheating times and showed good agreement.

Chemistry - Chemical explosives↗
DOE OSTI2020

Development of Transition-Edge Sensor X-ray Microcalorimeter Linear Array for Compton Scattering and Energy Dispersive Diffraction Imaging

In this paper we present a strip transition-edge sensor microcalorimeter linear array detector developed for energy dispersive X-ray diffraction imaging and Compton scattering applications. The prototype detector is an array of 20 transition-edge sensors with absorbers in strip geometry arranged in a linear array. We discuss the fabrication steps needed to develop this array including Mo/Cu bilayer, Au electroplating, and proofof-principle fabrication of long strips of SiNx membranes. We demonstrate minimal unwanted effect of strip geometry on X-ray pulse response and showlinear relationship of 1/pulse height and pulse decay times with absorber length. For the absorber lengths studied, our preliminary measurements show energy resolutions of 40-180eV near 17 keV. Furthermore, we show that the heat flow to the cold bath is nearly independent of the absorber area and depends on the SiNx membrane geometry.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Numerical investigations to identify environmental factors for field-scale reactive transport of pathogens at riverbank filtration sites

While induced bank filtration is a proven method for facilitating sustainable drinking water production, it is at risk from surface water contaminations (e.g., pathogens). Induced bank filtration and pathogen transport in groundwater have been studied extensively. However, long-term studies that consider real-world conditions are missing. These conditions include seasonal changes to environmental conditions and waterworks operations. Therefore, to analyze the effect of seasonal changes on the transport of human pathogenic viruses and their indicators in induced bank filtration, concentrations of adenoviruses and pathogen indicators were monitored over 16 months at an active bank filtration plant at the Rhine River, in Düsseldorf (Germany). Based on this data, a 2D groundwater model was created in PFLOTRAN that simulated flow, heat transport, conservative transport of chloride and the resulting electrical conductivity, reactive transport of oxygen and nitrate, and colloid-based transport of coliforms, somatic coliphages, and adenoviruses. The results show that reduced travel time was the key factor determining periods with a low removal of coliforms and somatic coliphages in the aquifer. Travel time was controlled by river level variations during rainy seasons, and the waterworks extraction rates during dry seasons. Further, for adenovirus transport, travel distance in the subsurface appeared to be the key factor, while travel time had no significant impact. Coliform removal increased when the colmation layer permeability decreased, while coliphage and adenovirus removal was unaffected by the colmation layer permeability. Seasonal changes in temperature and oxygen content did not significantly impact the removal of coliphages and adenoviruses in groundwater. Denitrifying conditions correlated with a lowered coliform removal, but the modelling could not establish a connection between denitrifying conditions and coliform removal. Our study showed that removal of pathogens and pathogen indicators at induced bank filtration plants varies greatly in time and space (e.g., for coliforms from 1 to 4 log-levels at 20m travel distance), and that adenovirus transport differs considerably from transport of coliforms and somatic coliphages.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Analysis of thermal and mechanical properties with inventory level of the molten salt storage tank in central receiver concentrating solar power plants

Molten salt thermal energy storage (TES) tanks ensure steady power output of concentrating solar power (CSP) plants; however, recent tank failures have highlighted the need for further analysis. Current studies primarily focus on analyzing the molten salt flow, heat transfer, and thermal efficiency. Additionally, research on the latest tank structures is limited and lacks newest experimental validation. This study measures temperature and molten salt inventory levels in the high-temperature tank at a 50 MW central receiver CSP plant, connected to the power grid in 2019. A multi-physics model was developed to evaluate thermal and mechanical properties of TES tanks by combining computational fluid dynamics and finite element modeling using real plant data. Heat loss, temperature, displacement, and stress distribution of the tank at different inventory levels were investigated. Results show that ambient air velocity near the tank roof reaches 2.14 m/s, much higher than 0.2 m/s near the wall. The temperatures of inventory fluid and tank are close, varying slightly at different levels due to thermal conduction and radiation. Because the heat loss strongly depends on temperature, the total tank loss remains nearly constant across inventory levels. Larger temperature gradients and thermal stresses are primarily localized along the tank floor edge and the air-salt interface. Notably, the maximum thermal stress at the tank edge is three times higher than that at the interface. The magnitude of total stress changes by less than 5 MPa with and without thermal load, indicating that high temperatures exert only a minor impact on tank stress. In contrast, thermal load significantly affects tank deformation, particularly at the roof edge, where values exceed 150 mm. Despite the large variation in molten salt levels, tank wall temperatures and displacements present a minor change, suggesting a weak correlation with inventory levels. In conclusion, the findings obtained in this study provide important insights on the TES tank that could be used to optimize tank design and operation strategies.

14 SOLAR ENERGY↗
DOE OSTI2020

Performance study of a novel dew point evaporative cooler in the climate of central Europe using building simulation tools

This paper presents the performance research of a hybrid air conditioning system (System II) equipped with novel dew point evaporative cooler (DPIEC) for a retail building located in temperate climatic conditions. The new cooler has a dedicated, adaptable structure that maximizes its performance in the climate conditions of central Europe. The unit can operate as a typical regenerative air cooler when outdoor air is drier than indoor air, it can operate as a counter-flow heat recovery unit when indoor conditions are more dry than outdoor and it can operate as a combination of both arrangements. The year-round, hourly-stepped building energy simulations were carried-out using a prognostic tool of energy consumption. The novel dew point evaporative cooler application potential was established using the black-box model based on regression equations was established based on experimental tests on a prototype of novel DPIEC. The hybrid system operation was compared to the typical air handling unit equipped with a standard energy wheel for heat recovery (System I). Presented research shows that DPIEC can cover about 95% of total cooling loads while the energy wheel covers only 9% of total cooling load. System II allows us to save 65% of seasonal electricity consumption comparing to System I. It comes from the fact that during most of the cooling season DPIEC is in operation and it covers most of the cooling loads without the need to switch the chilled water system.

Air conditioning↗
DOE OSTI2026

Thermal property characterization of phase change materials in building applications: A systematic review of fundamentals, recent progress, and future directions

Phase change materials (PCMs) can reduce building peak loads and enable demand-responsive thermal energy storage (TES), but their deployment depends on reliable measurement and interpretation of thermal properties across laboratory, intermediate, and application scales. Here, this review systematically examines characterization methods, testing protocols, and recent advances for neat PCMs and PCM composites, emphasizing thermal conductivity, enthalpy-related properties (phase change temperature, latent heat, specific heat), and cycling stability. For thermal conductivity, we compare steady-state and transient techniques and note limitations when phase transition and contact resistance affect measurements. For enthalpy–temperature characterization, we discuss differential scanning calorimetry together with intermediate- and bulk-scale methods, including T-history, heat flow meter testing, and three-layer calorimetry (3LC), to generate application-relevant enthalpy–temperature profiles. Cycling stability is organized into four experimental families: thermoelectric–air, fully thermoelectric, water-bath, and in situ chamber approaches, with attention to separating reversible supercooling from true degradation such as phase segregation. We highlight emerging noncontact diagnostics, including infrared thermography and embedded sensing, for spatially resolved validation and multiscale interpretation. Finally, we review the growing use of AI and machine learning for property prediction, inverse characterization from experimental signals, and real-time state estimation in building-integrated TES. Key needs include harmonized protocols, interlaboratory benchmarking, uncertainty reporting, and metadata-rich datasets to accelerate reproducible PCM qualification for grid-flexible buildings.

AI↗
DOE OSTI2025

"Hidden" hydrothermal technical potential & technoeconomics: Revealing permeability & fluids with more data

Historical hydrothermal estimates have largely relied on temperature or heat flow estimates ignoring the need for natural flowing fluids. More accurate hydrothermal estimates require some indication of permeability and fluids that naturally exist in the subsurface. This paper describes a novel approach that includes proxies of permeability and fluids in hydrothermal estimates by leveraging the relatively data-rich Great Basin. Specifically, nameplate capacities (megawatts) of operating geothermal plants, negative (0 megawatt) locations and 48 geophysical and geologic features are used to used in eXtreme Gradient Boosting (XGBoost) regression to make hydrothermal capacity predictions. Additionally, this work inputs the XGBoost-based hydrothermal predictions into the Renewable Energy Potential (reV) model to quantify technical capacity, its uncertainty and techno-economics. Compared to historical hydrothermal estimates, these predictions adhere to the 37 operating geothermal plants and negative locations. We present a method for subsampling the negative sites to bring the labels into balance that uses the geologic domain knowledge to proportionally represent negatives. Overall, the distributions of the hydrothermal technical capacity and the site levelized cost of energy are respectively much tighter, lower and more accurate than the previous estimates for the Great Basin, as they include geological and geophysical surrogates for permeability and fluids. Percentile (50th and 90th, median and high estimate, respectively) models provide bookends for these metrics.

13 HYDRO ENERGY↗
DOE OSTI2021

Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe 2

In two-dimensional materials, different atomic stacking induces anisotropic atomic interactions and phonon dispersions, leading to the anisotropy of in-plane thermal transport. In this work, we report an exceptional case in layered pentagonal PdSe 2 , where the bonding, force constants, and lattice constants are nearly-equal along the in-plane crystallographic axis directions, while the thermal conductivity is surprisingly much greater along b-axis than along a-axis with a ratio up to 1.8. Such strong anisotropy is not only unexpected in in-plane uniform structured materials, but also 2 comparable to the record high in-plane anisotropic thermal conductivity in the nonuniform structured material reported to date (the ratio is ~2.0 in TiS 3 ). By combining the inelastic X-ray scattering measurement and the first-principles calculations, we attribute such high anisotropy to the low-energy phonons along a-axis, particularly their lower group velocities and “avoided-crossing” behavior. The different buckling structures between a- (zigzag-type) and b-axis (flat-type) are mainly responsible for such unique phonon dynamics properties of PdSe 2 . This finding helps to discover materials with high anisotropic in-plane thermal conductivity in uniform structures and reveals new physics of anisotropy of in-plane thermal conduction. Due to the unique features in structure and thermal transport properties, PdSe 2 may serve as a new platform for designing novel devices to route heat flow precisely at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Giant Thermoelectric Power Factor Anisotropy in PtSb 1.4 Sn 0.6

In this work, we report on the giant anisotropy found in the thermoelectric power factor (S 2 σ) of marcasite structure-type PtSb 1.4 Sn 0.6 single crystal. PtSb 1.4 Sn 0.6 , synthesized using an ambient pressure flux growth method upon mixing Sb and Sn on the same atomic site, is a new phase different from both PtSb 2 and PtSn 2 , which crystallize in the cubic Pa$\bar{3}$ pyrite and Fm$\bar{3}$m fluorite unit cell symmetry, respectively. The large difference in S 2 σ for heat flow applied along different principal directions of the orthorhombic unit cell stems mostly from anisotropic Seebeck coefficients.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Volatile Products of the Autoxidation of Poly(ethylenimine) in CO 2 Sorbents

Poly(ethyleneimine) (PEI)-based CO 2 sorbents are a promising material class for use in CO 2 capture applications, particularly direct air capture (DAC), due to their high amine content and CO 2 capacities. The sorbent lifetime is a key uncertainty in the deployment of these materials in such applications, as they oxidize under conditions relevant to candidate DAC process cycles. Here, in this study, we utilize thermogravimetric analysis/differential scanning calorimetry/FTIR spectroscopy to characterize the nature, rate, and quantity of volatile species formed from the oxidation of PEI when supported on mesoporous Al 2 O 3 . We show that NH 3 , CO 2 , and H 2 O are primary volatile species formed from PEI oxidation and that their production rate matches the overall oxidation rate as measured via heat flow from a differential scanning calorimeter. We show that the total quantity of NH 3 evolved is consistent with terminal primary amines being cleaved from the polymer chain and that approximately one hydrogen atom per PEI repeat unit reacts to form H 2 O during the reaction. Finally, metadynamics and quantum chemical simulations performed on a simplified system are used to highlight the likely importance of radicals in the elementary reactions that comprise the oxidation reaction set. The findings here represent the first characterization of the volatile products from the oxidation of PEI in CO 2 sorbents and lead to a greater understanding of the mechanisms behind the oxidative degradation of these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mapping Local Dissipation and Entropy Production in Complex and Active Fluids

While global entropy production provides a measure of irreversibility, its partitioning into contributions from local regions is key to understanding the mechanisms underlying time-reversal symmetry breaking in complex systems and active matter. Here, by analyzing local heat flows and fluxes, we propose a framework that enables the mapping of local dissipation and entropy production in a nonequilibrium system. We test this approach in simulations of fluids driven through complex environments and active systems. We connect the results across the local and global scales by showing that local dissipation and entropy production satisfy a local version of the usual (global) fluctuation theorem, which accounts for the correlations between the local region and its surroundings. Interestingly, in the case of the active fluid, our analysis reveals that these correlations are of opposite signs for the active (stochastic) and passive (deterministic) contributions to local dissipation.

Entropy↗
DOE OSTI2025

Thermophysical Properties of NaCl–UCl 3 –PuCl 3 Molten Salts: A Combined Computational and Experimental Study

Actinide-bearing molten salts for use as fuels are an essential part of next generation molten salt reactors. Yet, numerous multicomponent salt mixtures are underdeveloped or have not been investigated. Here, this study, based on a combination of experimental and modeling techniques, is dedicated to determining and understanding a variety of properties of the ternary system of NaCl–UCl 3 –PuCl 3 , which represents a scenario for burnup of NaCl–UCl 3 fuel, at two compositions (∼10 and 5 mol % PuCl 3 in eutectic NaCl–UCl 3 pseudobinary) and a range of temperatures. Evaluation of the heat flow and mass loss data showed the 0.61NaCl–0.30UCl 3 –0.09PuCl 3 salt had a melting temperature of 551 ± 5 °C. Two additional thermal effects were observed occurring at approximately 410 and 494 °C. The transition occurring at 410 °C may be due to the presence of oxide in the salt. Extrapolation of thermodynamic data indicates the transition occurring at 494 °C is due to the formation of a liquid phase. Experimental testing determined the density of this system is a linear function of temperature and can be represented by the equation ρ = 4.014–0.0010T(°C), R 2 = 0.992. Additionally, by using atomistic modeling, we found that increasing the PuCl 3 content from 5 to 10 mol % led to the formation of larger Pu 3+ clusters and slower transport of ions.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗