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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Interface and Thermophysical Properties of R 32 Refrigerant

Driven by the urgent demand for efficient cooling in microelectronics and advanced thermal management systems, difluoromethane (R32/CH 2 F 2 ) has emerged as a promising candidate owing to its favorable thermophysical properties, including high heat transfer efficiency and low viscosity. While bulk properties such as density, viscosity, and thermal conductivity have been widely studied, interfacial properties, including surface tension and interfacial thickness, remain comparatively underexplored, despite their importance in phase-transition dynamics. Here, we perform molecular dynamics (MD) simulations from 180 to 300 K using an optimized transferable force field for fluoropropenes with enhanced electrostatics to assess both bulk and interfacial behavior of R32. Simulations reproduced density within ±2.1%, viscosity within 3.05%, and thermal conductivity within 7.41% of NIST reference data. Heat capacities (C p and C v ) were predicted within 5%. For interfacial properties, surface tension trends were reproduced within 13.58% deviation, and the vapor–liquid coexistence curve closely matched reference data, yielding a critical temperature of 345.7 K (1.6% deviation) and a critical density of 0.397 g/cm 3 (6.4% deviation). Importantly, the vapor–liquid interface exhibited pronounced temperature-dependent broadening across the 180–290 K range. This behavior correlates with increasing molecular kinetic energy, reduction in intermolecular cohesive interactions, and a progressive loss of preferential dipole alignment, which collectively enhance thermal fluctuation amplitudes at elevated temperatures. These validated results provide predictive molecular-level insights, particularly for interfacial properties that remain less characterized. By reducing property prediction errors in key parameters such as critical temperature, this work provides reliable inputs for heat-exchanger and system models. Such correlations can support optimized component sizing, improved performance, and reduced refrigerant charge. Beyond R32, the methodology offers a transferable framework for blended and next-generation low-GWP refrigerants, contributing to sustainable thermal management aligned with the 2027 EU F-Gas regulation and 2030 Kigali Amendment.

Fluids↗
DOE OSTI2026

Pilot Development Progress to Demonstrate Electric Thermal Energy Storage (ETES) Using Low-Cost Particles

The rapid growth of future energy demand increases the need to economically store electrical energy over durations up to several days in long-duration energy storage (LDES) applications. LDES can reduce the grid stress for improving the resilience of the grid. The integration of renewable power and storage has several significant and positive impacts including expanding the renewable energy portion of electricity generation, meeting peak-load demand, and coordinating supply and demand. Several energy storage approaches including mechanical, chemical and electrochemical methods are currently deployed or under development. However, LDES requirements pose unique challenges for scalability, energy capacity, and cost. Thermal energy storage (TES) has the ability to store a large capacity of energy with improved site flexibility compared to incumbent LDES technologies (i.e., pumped hydro) and has attracted significant interest. Our development in TES technology using solid particles as the storage medium has shown feasibility and potential in serving LDES purposes. Particle TES has various advantages over commercialized molten nitrate salt TES and has emerged as a promising storage technology originating from Generation 3 concentrating solar power (CSP) development. Stable, inexpensive silica sand produced in the Midwestern U.S. was identified as a suitable storage medium and has been validated through lab heating and cycling tests. We have successfully developed particle TES for bidirectional electric energy storage to broaden the applications for TES beyond CSP technologies and into standalone electric-thermal energy storage (ETES) systems. Key component designs and performance were verified with prototype testing and model simulations. The ETES system uses high-temperature, low-cost particle thermal energy storage coupled with a unique pressurized fluidized bed heat exchanger that supports a high-efficiency, air-Brayton combined power cycle. At times of low energy demand or high renewable production, an electric particle heater heats large quantities of solid particles to high temperatures in excess of 1100 degrees C. The particles are stored in internally insulated silos. At times of high electricity demand, the hot particles are gravity-fed through the heat exchanger where stored thermal energy is transferred to the power cycle working fluid to drive the gas turbine power generation system, thereby converting the thermal energy back into electricity for the grid. The cold particles leaving the heat exchanger are returned to the storage silos by a well-insulated particle conveyor. This ETES technology using particle TES can be sited anywhere and is predicted to be economic and efficient. Moreover, this ETES technology could be co-located with a retired coal or gas plant to leverage existing power generation and grid infrastructure. Our work has focused on the development of each of the key components (e.g., the electric particle heater, particle storage silos, and the particle-to-gas pressurized fluidized bed heat exchanger) through conceptual designs, prototype testing, and computational modeling. These developments demonstrate technological feasibility and are an important step towards the next phase of development of this promising LDES technology. This presentation will show the progress in developing a pilot demonstration of the ETES system on a commercially relevant scale.

25 ENERGY STORAGE↗
DOE OSTI2025

Uncovering Sequence and Structural Characteristics of Fungal Expansin‐Related Proteins With Potential to Drive Substrate Targeting

Expansins loosen plant cell wall networks through disrupting non-covalent bonds between cellulose microfibrils and matrix polysaccharides. Whereas expansins were first discovered in plants, expansin-related proteins have since been identified in bacteria and fungi. The biological function of microbial expansins remains unclear; however, several studies have shown distinct binding preferences toward different structural polysaccharides. Earlier studies of bacterial expansin-related proteins uncovered sequence and structural features that correlate to substrate binding. Herein, 20 fungal expansin-related sequences were recombinantly produced in Komagataella phaffii, and the purified proteins were compared in terms of substrate binding to cellulosic and chitinous substrates. The impact of pH on the zeta potential of prioritized substrates was also measured, and Principal Component Analysis was performed to uncover correlations between protein characteristics (e.g., pI, hydrophobicity, surface charge distribution) and measured substrate binding preferences. Whereas acidic proteins with a predicted pI less than 5.0 preferentially bound to chitin, basic proteins with pI greater than 8.0 preferentially bound to xylan and xylan-containing fiber. Similar to many cellulases, binding to cellulose was correlated to relatively high aromatic amino acid content in the protein sequence and presence of a carbohydrate binding module (CBM), which in the case of expansins is a C-terminal CBM63. Whereas overall sequence characteristics could be correlated to substrate binding preference, the identity of amino acids occupying conserved positions that impact protein activity was better correlated with loosenin versus expansin classifications.

chitin↗
DOE OSTI2022

Long term performance of vacuum insulation panels integrated into building components

Vacuum insulation panels provide much greater resistance to heat transfer than conventional insulation materials, making them ideal for building applications, especially where space is a constraint. Of particular interest is energy retrofits where high insulation values are required with very little or no modifications to existing building envelope elements such as fenestrations and service penetrations. To facilitate the use of vacuum insulation panels (VIPs) in residential and commercial construction, this study investigates the performance of VIPs integrated into polyisocyanurate foam board and vinyl siding after several years of service. Vacuum insulation panels integrated with polyisocyanurate boards were studied in mixed humid and cold climates. The integration of VIPs with vinyl siding was investigated in a mixed humid climate. Periods of service were between two and five years. In all cases, the integrated building components outperformed conventional materials by almost 40 percent during heating and cooling periods. However, the percent reduction in heat gains and losses of the integrated building components decreased with time at a rate between approximately 4% and 10% per year during the service period. In some cases, the rate seems to converge to a steady -state value. Measurements are ongoing to determine if a steady-state value is attained or the panel's insulation value continues to decrease with time. This study is critical in addressing the service life and durability of the building envelope with VIP integrated building components. The effect of these changes will be reviewed in the context of an exterior retrofit.

Aldykiewicz Jr, Antonio↗
DOE OSTI2025

Microstructure‐Dependent Sodium Storage Mechanisms in Hard Carbon Anodes

Sustainable energy storage is essential to support the transition to renewables and meet the increasing demand for energy. Sodium‐ion batteries (NIBs) are attractive for grid‐scale energy storage due to the abundance and low cost of sodium, sustainability of other battery components, and electrochemical performance. Hard carbon (HC) is a leading anode material for NIBs, but its complex microstructure complicates the understanding of sodium storage mechanisms. Using X‐ray total scattering and density functional theory calculations, this study clarifies how HC's microstructural variations influence sodium storage across the slope (high potential) and plateau (low potential) regions of the potential capacity curve. In the slope region, sodium initially adsorbs at high‐binding energy defect sites and subsequently intercalates between graphene layers, adsorbing at low‐binding energy defect sites, correlating with different slopes observed during initial sodiation. Initial irreversibility arises from sodium trapping at surface defects and solid electrolyte interface formation. In the plateau region, sodium simultaneously intercalates and fills pores, influenced by pore size, interlayer spacing, and defect concentration. HCs with larger pore sizes form larger sodium clusters. In conclusion, the proposed mechanism underscores the role of microstructure engineering in enhancing HC performance and advancing NIBs for grid‐scale energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Effect of APS-HVOF Bond Coating Thickness Ratio on TBC Furnace Cycle Lifetime

In this work, combinations of NiCoCrAlY APS and high-velocity oxygen fuel (HVOF) bond coatings were deposited on alloy 247 disk substrates with APS yttria-stabilized zirconia (YSZ) top coatings to assess the benefit of air plasma sprayed (APS) ‘flash’ bond coatings. Using 1-h cycles at 1100 °C in air with 10% H 2 O and HVOF-only and APS-only bond coatings as a baseline, it was found that APS flash coatings extended the average coating lifetime by 16% to 35% with the thicker flash coating performing best. Principal component analysis and energy dispersive spectroscopy (EDS) compositional mapping on coatings characterized after 0, 100, 300 and 500 cycles and after failure showed that the Al in the bond coatings was depleted due to both oxidation and back diffusion into the substrate. The APS-only bond coating had significant oxidation throughout the bond coating and was so depleted in Al, that Al diffused from the substrate to the coating. Residual stress maps of the thermally-grown alumina scale were obtained every 100 cycles using photo-stimulated luminescence piezospectroscopy (PLPS) revealing that the Thick Flash coating had the slowest rate of damage accumulation in the oxide scale.

alumina scale↗
DOE OSTI2020

High-Energy X-ray Tomographic Analysis of Precursor Metal Powders (Ti-6Al-4V) Used for Additive Manufacturing

We utilized high-energy x-ray tomography to characterize Ti-6Al-4V metal powders (both as-received and recycled) used in powder-bed additive manufacturing process. The image processing workflow was developed to process and analyze large amount of data objectively by computer program. The distribution of size and shape of the metal particles as well as defect (mainly porosity) inside the particles was analyzed with the statistical representation and resolution in micrometer. The result revealed that circular-shaped porosity with various sizes could be embedded in the powder particles. These porosities could potentially be transferred to the 3D printed part and critically affect the mechanical performance of the component. The present study shows the effectiveness of characterizing metal powders using x-ray imaging techniques where sufficient number of particles can be sampled within tens of minutes with a minimum sample preparation and high accuracy. Clear structural differences in the as-received and recycled powders were delineated that helps in determining the feasibility of using the recycled powders.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Adversarial Ensemble Modeling of Multi-modal Mechanical Properties for Iron-Based Alloys

Mechanical properties of alloys are controlled by their microstructure; and microstructure evolution is controlled by internal and external stressors. Chemical complexity during the alloy processing may result in heterogeneity and observation of multimodal performance patterns. Thus, to ensure the desired performance of stressed components it is important to understand the origin and mechanisms of such behavior. Adversarial ensemble modeling was introduced here to explain multimodal mechanical properties of the iron-based alloys. The modeling results showed that the areas of a single mechanism predominance were contiguous across the alloy compositions clustered by similarity, with sharp and persistent boundaries separating the single-mechanism domains. The marginal compositions resulted in increased competition between the adversarial models but only led to the multimodal behavior when the competing models diverged. Transparency of the clustering method allowed explicit interpretation of the chemistries leading to such competition. The adversarial ensemble was interpreted through transition from ductile to brittle microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Data-Driven Constitutive Model for the Inelastic Response of Metals: Application to 316H Steel

Here, predictions of the mechanical response of structural elements are conditioned by the accuracy of constitutive models used at the engineering length-scale. In this regard, a prospect of mechanistic crystal-plasticity-based constitutive models is that they could be used for extrapolation beyond regimes in which they are calibrated. However, their use for assessing the performance of a component is computationally onerous. To address this limitation, a new approach is proposed whereby a surrogate constitutive model (SM) of the inelastic response of 316H steel is derived from a mechanistic crystal plasticity-based polycrystal model tracking the evolution of dislocation densities on all slip systems. The latter is used to generate a database of the expected plastic response and dislocation content evolution associated with several instances of creep loading. From the database, a SM is developed. It relies on the use of orthogonal polynomial regression to describe the evolution of the dislocation content. The SM is then validated against predictions of the dead load creep response given by the polycrystal model across a range of temperatures and stresses. When the SM is used to predict the response of 316H during complex non monotonic loading, extrapolating to new loading conditions, it is found that predictions compare particularly well against those from the physics-based polycrystal model.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Toolpath considerations for 5-axis systems

There have been many studies that show how additive manufacturing (AM) has been able to improve the performance of a component, reduce manufacturing costs, or minimize lead times. As the adoption of AM significantly increased, so did the complexity of designs for AM. Many designs require advanced systems, and in response to this, there is an increasing number of systems now capable of additional degrees of motion. 5-axis systems, which include two rotary axes, are becoming more common in the additive manufacturing community. These systems are capable of depositing material on a nonplanar surface and lend themselves to many industrial applications, further extending the design space for AM. However, computer-aided manufacturing (CAM) for AM has been dominated by 3-axis slicing software that do not typically accomodate 5-axis motion. This chapter introduces 5-axis motion and presents the unique considerations that need to be accounted for when generating toolpath trajectories for 5-axis systems.

Feldhausen, Thomas↗
DOE OSTI2025

Exascale granular microstructure reconstruction in 3D volumes of arbitrary geometries with generative learning

Reconstructing 3D granular microstructures within volumes of arbitrary geometries from limited 2D image data is crucial for predicting the material properties, as well as performances of structural components accounting for material microstructural effects. We present a novel generative learning framework that enables exascale reconstruction of granular microstructures within complex 3D geometric volumes. Building upon existing transfer learning techniques using pre-trained convolutional neural networks (CNN), we introduce several key innovations to overcome the difficulties inherent in arbitrary geometries. Our framework incorporates periodic boundary conditions using circular padding techniques, ensuring continuity and representativeness of the reconstructed microstructures. We also introduce a novel seamless transition reconstruction (STR) method that creates statistically equivalent transition zones to integrate multiple pre-existing 3D microstructure volumes. Based on STR, we propose a cost-effective strategy for reconstructing microstructures within complex geometric volumes, minimizing computational waste. Validation through numerical experiments using kinetic Monte Carlo simulations demonstrates accurate reproduction of grain statistics, including grain size distributions and morphology. A case study involving the reconstruction of a 4-blade propeller microstructure illustrates the method’s capability to efficiently handle complex geometries. In conclusion, the proposed framework significantly reduces computational demands while maintaining high reconstruction quality, paving the way for scalable microstructure reconstruction in materials design and analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Size-dependent stochastic tensile properties in additively manufactured 316L stainless steel

Recent work in metal additive manufacturing (AM) suggests that mechanical properties may vary with feature size; however, these studies do not provide a statistically robust description of this phenomenon, nor do they provide a clear causal mechanism. Because of the huge design freedom afforded by 3D printing, AM parts typically contain a range of feature sizes, with particular interest in smaller features, so the size effect must be well understood in order to make informed design decisions. This work investigates the effect of feature size on the stochastic mechanical performance of laser powder bed fusion tensile specimens. A high-throughput tensile testing method was used to characterize the effect of specimen size on strength, elastic modulus and elongation in a statistically meaningful way. The effective yield strength, ultimate tensile strength and modulus decreased strongly with decreasing specimen size: all three properties were reduced by nearly a factor of two as feature dimensions were scaled down from 6.25 mm to 0.4 mm. Hardness and microstructural observations indicate that this size dependence was not due to an intrinsic change in material properties, but instead the effects of surface roughness on the geometry of the specimens. Finite element analysis using explicit representations of surface topography shows the critical role surface features play in creating stress concentrations that trigger deformation and subsequent fracture. The experimental and finite element results provide the tools needed to make corrections in the design process to more accurately predict the performance of AM components.

316L stainless steel↗
DOE OSTI2021

Effect of the scanning strategy on the formation of residual stresses in additively manufactured Ti-6Al-4V

During the laser-powder bed fusion (L-PBF) process, high laser intensities, short interaction times and highly localized heat input drive large thermal gradients that result in a state of high residual stresses. Generally, the residual stresses that develop during the L-PBF process can compromise the performance of the component. Up to now, the literature has indicated that the magnitude of the residual stresses can be affected by various process parameters. In this study, all process parameters such as laser power and speed are held fixed and the focus is solely on the effect of the laser scan strategy on the three-dimensional residual stress state of L-PBF metallic components. Four Ti-6Al-4V bridge shaped components were built using island and continuous scanning patterns parallel and offset 45° from the sample axes. High-energy X-ray diffraction was used to determine the residual stress field in each of the components. Two of them were re-measured after being partially removed from the build plate. The assumptions implicit in diffraction measurements of stress are reviewed and discussed in depth because the unique microstructure associated with L-PBF Ti-6Al-4V renders the validity of those assumptions uncertain. Specifically, additional data was collected and analyzed to evaluate the relationship between grain scale and macroscopic scale stresses. The observed residual stresses were large, ½ to ¾ of the yield strength, particularly the build direction stresses near the lateral edges of the bridges. Here in this work, the higher stresses were observed in the bridges built via the island scan strategies, chiefly near the edges of the parts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Trajectory of Additively Manufactured Titanium Alloys with Superior Mechanical Properties and Engineered Microstructures

Additive manufacturing (AM) plays a crucial role in the manufacturing and development of advanced materials including titanium alloys for engineering applications. During the last two decades, a great deal of effort has been devoted to print titanium parts with desired properties. However, due to presence of non-equilibrium/metastable phases, anisotropic microstructure, and various porosities in the printed titanium alloys, achieving an excellent combination of mechanical properties has been challenging. Here this review paper aims to provide a comprehensive overview of multiple post-process and in-process approaches to achieve enhanced strength-ductility combinations by microstructure engineering. Approaches such as addition of alloying elements/nucleants, multi-step post heat treatment, in-situ heat treatment, forced inter-pass cooling, in situ peening/rolling, hybridizing microstructure, high-intensity acoustic vibration, thermo-hydrogen refinement of microstructure, deliberately introducing lack of fusion defects with subsequent hot isostatic pressing are discussed in detail. Finally, we conclude by highlighting the challenges associated with each method and potential areas of improvement that can pave the way to develop reliable components with enhanced performance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemistry imaging and distribution analysis of rare earth elements in coal using LIBS and LA-ICP-MS instruments

Currently, demand for rare earth elements (REEs) increased significantly. Coal is actively evaluated as potential economic sources for extraction of REEs. Here, in this work, laser-induced breakdown spectroscopy (LIBS) was evaluated for rapid estimation of REEs content and their distribution in the natural coal samples. The results were compared with similar laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS) measurements. Thirteen coal samples (nine standard samples and five natural samples) were used in this study. Powder samples were pressed into pellets while coal chunks were directly ablated for data recording. Pellets of the powder standard samples were used to optimize the data acquisition system and then data recorded with this optimized system was used to identify the proper data acquisition and analysis models. After establishing the proper data acquisition system and analysis model using the standard samples, natural coal samples in powder form and their chunks were utilized to record LIBS and LA-ICP-MS spectra. Multivariate calibration models were developed using four of the natural samples, which were evaluated by predicting the REE content in the fifth sample. Principal component analysis was performed on the LIBS data obtained from the natural samples and it classified all the samples with high accuracy. Two-dimensional (2D) elemental mapping on coal chunk samples was also performed using both LIBS and LA-ICP-MS to study the distribution of REEs in the samples. The resulting elemental images and their correlations can be used to infer mineral distributions.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Design and characterization of a single-channel microwave interferometer for the Helicon Physics Prototype eXperiment

A heterodyne interferometer for measuring the plasma electron density in Helicon Physics Prototype eXperiment (HPPX) has been developed and characterized in the laboratory. The heterodyne-type interferometer uses a probing beam of 85 GHz and a reference beam of 85.7 GHz by using two Gunn oscillators for facilitating frequency modulation. The cutoff density for this frequency is 8.96 x 10 19 m –3 that is much higher than the nominal electron density of the HPPX plasmas. The maximum deflection angle due to the refraction effect is estimated to be 0.63° assuming a parabolic electron density profile, and the impact on the measurement is negligible for the plasmas with a size of 100 mm. Two identical HDPE lenses act as the vacuum windows, and the lenses working together with the transmitter and receiver horns, form a beam with the beam waist of about 20 mm located at the plasma center. The characterization results of the lens and the critical microwave components show good performance. The plasma electron density measurement results are in line with the expectation. Furthermore, the Signal to Noise Ratio (SNR) of the measurement is defined as SNR = 20lg($\bar{n}_{e}$/S), where $\bar{n}_{e}$ and S are respectively the average electron density and the standard deviation of the signal, and the SNR is 80 dB. Finally, this demonstrates the system's capability of providing a clear and detailed density resolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Thermal-shock experiments for separate-effects validation of UO 2 fuel fracture models

Because of the important role that fracture plays in the behavior of ceramic UO2 fuel in a nuclear reactor environment, fracture models are a major component of fuel performance codes. As with any aspect of fuel performance, it is crucial to validate these fracture models against experimental data; however, obtaining well-controlled data for conditions representative of a reactor environment is difficult. Quenching is proposed here as a relatively simple approach for using a laboratory environment to achieve conditions that approximate those of a reactor environment. In this paper, an experimental apparatus containing a single instrumented fuel pellet in a sealed section of copper tubing is developed. It is then applied to a series of seven experiments in which the apparatus is first heated to a high temperature (580-680°C) by immersion in a molten salt bath, then quenched in a cold bath (-10-4 °C). Development of these experiments was guided by numerical simulations, and post-test simulations were performed to aid in understanding the experimental behavior and assessing the accuracy of the predictions of fracture initiation and propagation. In addition, similar experiments were performed on solid copper rods to provide temperature-dependent heat transfer coefficients for use in simulations of these experiments. Here, this study demonstrates that quenching is a viable approach for generating thermal gradients representative of those in prototypical light-water reactor conditions at powers of about 5–10 kW/m. Fracture is expected to begin at these power levels, and moderate amounts of radial and axial cracking was observed in these quenching tests.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

srlife : A software tool for estimating the life of high temperature concentrating solar receivers. Part II – Ceramic receivers

As Concentrating Solar Power (CSP) technologies aim for higher operating temperatures to enhance efficiency and meet industrial process heat demands, high-temperature metallic materials, including nickel-based superalloys, face challenges in maintaining structural integrity. Advanced ceramics offer a promising alternative due to their superior high-temperature strength. However, accurately assessing the performance of ceramic components requires a fundamentally different approach from that used for metallic components. This Part II of a two-part paper describes the integration of ceramic statistical failure models within srlife – an open-source tool for predicting the life of high-temperature CSP receivers. These models account for the inherent variability in ceramic strength, as well as the effects of subcritical crack growth (SCG) under high temperature cyclic loads. Here, the paper includes an example problem that demonstrate the process of evaluating ceramic receivers using srlife. Part I details the life estimation process for metallic receivers (i.e. creep-fatigue life) along with input and output data structure, thermohydraulic analysis, and structural analysis. The complete tool is available as open-source software at https://github.com/srlife-project/srlife and can be installed via the PyPi package manager (https://pypi.org). By supporting both ceramic and metallic receiver analyses, srlife facilitates fair comparisons between competing metallic and ceramic designs, enabling accurate evaluations of plant efficiency and the economic benefits of ceramic solar receivers and other components.

High temperature ceramic receivers↗