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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

In Situ High-Pressure Synthesis of New Outstanding Light-Element Materials under Industrial P-T Range

High-pressure synthesis (which refers to pressure synthesis in the range of 1 to several GPa) adds a promising additional dimension for exploration of compounds that are inaccessible to traditional chemical methods and can lead to new industrially outstanding materials. It is nowadays a vast exciting field of industrial and academic research opening up new frontiers. In this context, an emerging and important methodology for the rapid exploration of composition-pressure-temperature-time space is the in situ method by synchrotron X-ray diffraction. This review introduces the latest advances of high-pressure devices that are adapted to X-ray diffraction in synchrotrons. It focuses particularly on the “large volume” presses (able to compress the volume above several mm3 to pressure higher than several GPa) designed for in situ exploration and that are suitable for discovering and scaling the stable or metastable compounds under “traditional” industrial pressure range (3–8 GPa). We illustrated the power of such methodology by (i) two classical examples of “reference” superhard high-pressure materials, diamond and cubic boron nitride c-BN; and (ii) recent successful in situ high-pressure syntheses of light-element compounds that allowed expanding the domain of possible application high-pressure materials toward solar optoelectronic and infra-red photonics. Finally, in the last section, we summarize some perspectives regarding the current challenges and future directions in which the field of in situ high-pressure synthesis in industrial pressure scale may have great breakthroughs in the next years.

36 MATERIALS SCIENCE↗
DOE OSTI2022

New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials

This paper presents a new robust large-strain (LS) elasto-viscoplastic (EVP) formulation based on Fast Fourier Transforms (FFTs) for the prediction of the micro-mechanical response and microstructure evolution of polycrystalline and multiphase materials, with emphasis on the effect of strong crystallographic and/or morphologic anisotropy on localization of plastic deformation. In this work, the novel LS-EVPFFT formulation allows treatment of complex initial geometries and large deformations considering three grids of material points: a regular grid in the reference configuration, where FFTs can be performed; an irregular grid in the initial configuration, created by applying a stress-free displacement field to the reference regular grid; and an irregular grid in the current configuration, undergoing large strains and rotations as the material is loaded. Further numerical stability of the new formulation also required the use of a novel expression for the discrete modified Green’s operator, which reduces spurious field oscillations. After presenting and validating the new formulation by comparison with preexisting implementations and analytical solutions, LS-EVPFFT is applied to the prediction of slip and kink bands formation in polycrystalline columnar ice, and kink bands in single crystal zinc wires, showing good agreement with classic experiments. Finally, the model is used to study kink band formation during compression of Cu–Nb nano-metallic laminates (NMLs), in which accurate treatment of the complex geometry associated with the tortuosity of interfaces and large deformations become critical, showing consistency with corresponding micropillar experiments.

36 MATERIALS SCIENCE↗
NASA NTRS2024

3D Printed Materials Characterization for Rapid Prototyping and Plant Growth

Through KSC IRTD funding in 2022, this project brought a list of 18, 3D printed filaments into formal characterization testing to provide a reference for their behaviors under relevant applications. The project format set up a series of tests to expose 3D printed specimens. A total of 1,989 individual 3D printed test specimens were sent across KSC to be scrutinized by three laboratories to fulfill a multidisciplinary assessment of each material TRL. Testing started with 18 materials. Initially, seed germination assays in the PPA, sample materials were enclosed in petri dishes with lettuce seeds on damp germination paper. No significant impacts on lettuce seed germination were observed in this testing. Next, sample coupons were printed and sent for materials testing to the KSC Analysis/Mechanical and Environmental Testing Laboratory, where they were subjected to 14- and 30-day soak periods in solutions used to provide nutrients to plants or to sanitize hardware before and after use. Following a long soak typical of a 30-day plant growout in Hoagland’s solution, 14 materials gained more than 10% of their own mass. This indicated an increased potential for leaching or providing conditions that are not food safe. Materials that exceeded 15% absorption by mass were eliminated from further testing. Based off this result, the team continued with a core list of nine filaments to fulfill Tensile, Flexural, Biofilm formation, and plant growth testing. Those materials were PLA (Raise3D), ABS (Raise3D), PETG (PolyethyleneTerephthalate Glycol) (Raise3D), ASA (Acrylonitrile Styrene Acrylate) (Raise3D), PC (Polycarbonate) (Raise3D), TPU (Thermoplastic polyurethane)-95 (Raise3D), PLA Copper (Gizmodorks), PP (Polypropylene) (Braskem), and HIPS (High Impact Polystyrene) (Gizmodorks). Testing also quantified the spectral impact of using different color 3D printed surfaces in a growth chamber. The material used for spectral testing was PLA. Printing employed a standard surface texture representative of all materials. It was shown through Tensile Testing (ASTM D638-22) that the breaking force of a 3D printed part greatly varied depending on layer orientation. This is common through all materials, and demonstrates that the strength of a 3D printed component can be maximized by layering the material normal to the primary force on the part. Four-point flexural testing (ASTM D790) provided quantities of interest, Flexural modulus, Flexural strength, Flexural stress, and strain at break within a 5% strain limit from each of nine materials. Biofilm formation testing was conducted in the Molecular and Microbiological Laboratory. Testing completed on specimens from each material showed equal formation on the surface. Additional plant growth testing was conducted in the PPA beyond the initial germination testing. The final assessment documents that three materials (PLA, ABS, and PC) have reached TRL 6 through extensive testing, and ultimate end-to-end applied use in experimental or testing conditions (flight and ground). TRL 5 materials (ASA, TPU-95, PLA Copper, PP, PETG, and HIPS) have all been successfully applied in Research and Development for crop growth applications and are ready to be applied in formal testing. TRL 4 materials Nylon910, PLA Carbon Fiber, PPA CF, PPA Glass Fiber (GF), NinjaFlex, and P-filament 721 are materials that were able to be printed and tested, but have yet to show data meeting applied requirements. TRL 3 NylonX, Flex TPE-185, and Nylon were unable to be reliably printed to fulfill testing. These results provide researchers with reference for materials to use during plant growth experimentation, and also set a standard for future characterization work applying 3D printing and materials to testing, research, and experimentation.

Gioia Massa↗
DOE OSTI2023

Colloidal Semiconductor Nanocrystal Lasers and Laser Diodes

Lasers and optical amplifiers based on solution-processable materials have been long-desired devices for their compatibility with virtually any substrate, scalability, and ease of integration with on-chip photonics and electronics. These devices have been pursued across a wide range of materials including polymers, small molecules, perovskites, and chemically prepared colloidal semiconductor nanocrystals, also commonly referred to as colloidal quantum dots. The latter materials are especially attractive for implementing optical-gain media as in addition to being compatible with inexpensive and easily scalable chemical techniques, they offer multiple advantages derived from a zero-dimensional character of their electronic states. These include a size-tunable emission wavelength, low optical gain thresholds, and weak sensitivity of lasing characteristics to variations in temperature. Here we review the status of colloidal nanocrystal lasing devices, most recent advances in this field, outstanding challenges, and the ongoing progress toward technological viable devices including colloidal quantum dot laser diodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

OLED with multi-emissive material layer

The present invention relates to organic light emitting devices with a multi-emissive material layer (EML), where a multi-EML generally refers to an emissive layer having at least two layers of emissive material, each layer having a different emitter concentration (e.g. a first EML in direct contact with a second EML, and the emitter concentration of the first EML (hole favorable) exceeds that of the second EML (electron favorable)).

Li, Jian↗
DOE OSTI2021

Quantum Chemistry Calculations for Metabolomics

A primary goal of metabolomics and exposomics studies is to fully characterize the small molecule composition of complex biological and environmental samples. However, despite advances in analytical technologies over the past two decades, the majority of small molecules in complex samples are not readily identifiable due to the immense structural and chemical diversi-ty present within the metabolome and exposome. Current gold-standard identification methods rely on reference libraries built using authentic chemical materials (“standards”), which are not available for most molecules. Computational quantum chemis-try methods, which can be used to calculate chemical properties that are then measured by analytical platforms, offer an alter-native route for building reference libraries, i.e., in silico libraries for “standards-free” identification. In this review, we cover the major roadblocks currently facing metabolomics and discuss applications where quantum chemistry calculations offer a solu-tion. Several successful examples for nuclear magnetic resonance spectroscopy, ion mobility spectrometry, infrared spectros-copy, and mass spectrometry methods are reviewed. Finally, we consider current best practices, sources of error, and provide an outlook for quantum chemistry calculations in metabolomics and exposomics studies. We expect this review will inspire researchers in the field of small molecule identification to accelerate adoption of in silico methods for generation of reference libraries and to add quantum chemistry calculations as another tool at their disposal to characterize complex samples.

Metabolism↗
DOE OSTI2023

Modeling, analysis, and optimization of complex nuclear processes and facilities via computational methods: The HALEU process case study

Improving and adapting industrial systems to timely meet changing programmatic and market demands is an important goal to achieve, including when operating and maintaining complex nuclear processes and facilities. However, changes to these complex systems are costly, particularly when they are already in place and bounded to stringent requirements and constraints such as when handling radioactive material and contaminated equipment. These conditions often exist when treating spent nuclear fuel remotely within shielded nuclear radiation chambers, commonly referred as hot cells, to condition nuclear material and/or fabricate products for utilization in other nuclear enterprises such as in the manufacture of advanced nuclear fuel. The illustrative case considered here is the production of high assay low enriched uranium (HALEU) products supporting the deployment of advanced nuclear reactors. For the HALEU program, resources invested were and are being systematically analyzed so that these investments are maximized in a facility that is nearly 60 years old. A methodology that has effectively enabled optimized and improvements in the Spent Fuel Treatment (SFT) program, and consequently the HALEU program, involves discrete event simulation as addressed in this article. Here, the quantification of multiple productivity metrics, including material processing rates, cycle times, bottlenecks, number of material transfers as well as equipment, workstation, and material handling utilization, has resulted in a myriad of diverse discoveries and data-informed decisions regarding process layout and constituent, labor levels and schedules, selection of new process units, storage needs, and other critical process configurations. This article describes such a computational capability being applied for decision-making, illustrates its application to an actual process and program, provides illustrative results, and argues how computational methods for the modeling, analysis, and optimization of complex processes and facilities does lead to informed decisions derived from data and not only from intuition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1979

Feasibility study of silicon nitride regenerators

The feasibility of silicon nitride as a regenerator matrix material for applications requiring inlet temperatures above 1000 C is examined. The present generation oxide ceramics are used as a reference to examine silicon nitride from a material characteristics, manufacturing, thermal stress and aerothermodynamic viewpoint.

Fucinari, C. A.↗
DOE OSTI2022

(U) Marker Lagrangian Simulations using Geometry from CAD Assembly Files [Slides]

The Eulerian code PAGOSA now contains an option for the forward time integration of any user selected material in the Lagrangian frame of reference. This option is accomplished using a Multifield version of Brackbill’s FLIP plus Sulsky’s MPM. FLIP+MPM is a Marker Lagrangian scheme that is not to be confused with well known Grid Lagrangian schemes. This Marker Lagrangian method allows materials to undergo completely arbitrary deformation, up to and including fracture and separation. Using this option makes PAGOSA into a mixed frame simulation tool such that fluids can be integrated in the Eulerian frame and solids integrated in the Lagrangian frame. Boundaries between the fields are said to be ’immersed’ in the computational domain, and their nature is formulated using Multifield Theory. Each Marker in a field of FLIP+MPM material tracks the thermodynamic state of a small (but finite) piece of mass. Initiation of the Markers using the geometry and material information from CAD Assembly files is the subject of the talk. The ease and speed with which the dynamics of the assembly can be studied is demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Interpreting T-History Data on Supercooling and Phase Change Enthalpy of a Salt-Hydrogel Complex for Building Thermal Management

Phase change materials (PCMs) are promising materials for storing and discharging latent heat in buildings to regulate the thermal environment. Measurement of salt hydrate PCM thermal performance is often challenging because of supercooling and phase segregation. Though differential scanning calorimetry (DSC) has been widely used to measure thermal properties of various phase change materials, DSC uses milligrams of sample and is unrealistic for predicting large-scale materials performance. The T-history method [1], in contrast, handles higher volumes but the analysis typically requires a lumped capacitance assumption. Here, we report and analyze T-History data on a novel salt-hydrogel complex with high viscosity, that renders low Biot number sample preparation extremely challenging. We re-examine the standard T-history method and compared against DSC data in this complex material. We report details of an experimental setup, built with necessary additions to a controlled environmental chamber. We carefully examine the validity of the lumped capacitance assumption and suggest a modified analysis using a computational approach for reliable data. Experimental parameters such as ramp rate and temperature range of the environmental chamber are considered via computational modeling to understand the effect of ramp rate on supercooling [2]. Finally, we report thermal cycling experiments on the salt-hydrogel complex. Our modified approach to measuring supercooling and enthalpy of fusion at large scales is important in better understanding the performance of phase-change materials at scale for building thermal storage. References: [1] Marin, Jose M, Belen Zalba, Luisa F Cabeza, and Harald Mehling. “Determination of Enthalpy Temperature Curves of Phase Change Materials with the Temperature-History Method: Improvement to Temperature Dependent Properties.” Measurement Science and Technology 14, no. 2 (February 1, 2003): 184–89. https://doi.org/10.1088/0957-0233/14/2/305. [2] Safari, A., R. Saidur, F.A. Sulaiman, Yan Xu, and Joe Dong. “A Review on Supercooling of Phase Change Materials in Thermal Energy Storage Systems.” Renewable and Sustainable Energy Reviews 70 (April 2017): 905–19. https://doi.org/10.1016/j.rser.2016.11.272

thermodynamics↗
DOE OSTI2026

Reproducible benchmark for the SNAP 8 experimental reactor at operating conditions

This work presents fully reproducible multiphysics benchmark models of the Systems for Nuclear Auxiliary Power (SNAP) 8 Experimental Reactor at operating conditions with coolant flow. Wet experiment (with coolant, at power) validation benchmarks are presented using both deterministic (Serpent-Griffin) and Monte-Carlo (OpenMC-Cardinal) multiphysics frameworks coupled with thermal-hydraulic solvers in MOOSE. Reactivity coefficient measurements including fuel temperature, isothermal temperature, and power coefficients show good agreement with experiments, with discrepancies within experimental uncertainty. Reactivity worth experiments for coolant, samarium, and xenon poisoning are reproduced with differences under 200 pcm. Comparison between Serpent-Griffin and OpenMC-Cardinal frameworks reveal multiphysics coupling introduces positive reactivity effects (100-200 pcm) compared to uniform temperature and density fields at nominal operating conditions. Comparison between Serpent-Griffin and reference Serpent solution shows that power distributions maintain consistent radial and axial peaking behavior. All models, assumptions, thermophysical and thermomechanical properties, and material definitions are thoroughly documented with cited references; model inputs and model generating scripts are stored in the snapReactors GitHub repository.

SNAP↗
NASA NTRS1972

Fracture control procedures for aircraft structural integrity

The application of applied fracture mechanics in the design, analysis, and qualification of aircraft structural systems are reviewed. Recent service experiences are cited. Current trends in high-strength materials application are reviewed with particular emphasis on the manner in which fracture toughness and structural efficiency may affect the material selection process. General fracture control procedures are reviewed in depth with specific reference to the impact of inspectability, structural arrangement, and material on proposed analysis requirements for safe crack growth. The relative impact on allowable design stress is indicated by example. Design criteria, material, and analysis requirements for implementation of fracture control procedures are reviewed together with limitations in current available data techniques. A summary of items which require further study and attention is presented.

Wood, H. A.↗
NASA NTRS1979

Space manufacturing III; Proceedings of the Fourth Conference, Princeton University, Princeton, N.J., May 14-17, 1979

Papers are presented on the various technological, political, economic, environmental and social aspects of large manufacturing facilities in space. Specific topics include the potential global market for satellite solar power stations in 2025, the electrostatic separation of lunar soil, methods for extraterrestrial materials processing, the socio-political status of efforts toward the development of space manufacturing facilities, the financing of space industrialization, the optimization of space manufacturing systems, the design and project status of Mass Driver Two, and the use of laser-boosted lighter-than-air-vehicles as heavy-lift launch vehicles. Attention is also given to systems integration in the development of controlled ecological life support systems, the design of a space manufacturing facility to use lunar materials, high performance solar sails, the environmental effects of the satellite power system reference design, the guidance, trajectory and capture of lunar materials ejected from the moon by mass driver, the relative design merits of zero-gravity and one-gravity space environments, consciousness alteration in space and the prospecting and retrieval of asteroids.

Grey, J.↗
NASA NTRS1988

Spacecraft Fire Detection and Extinguishment: A Bibliography

Pertinent fire detection and extinguishment references have been identified to further the knowledge of spacecraft fire safety. To broaden the scope of the bibliography, other unusual environments, e.g., aircraft, submarine, ship, have been included. In addition, for a more comprehensive view of the spacecraft fire safety problem, selected subjects are included, e.g., materials flammability, smoke, human behavior. The references will provide the researcher with access to state-of-the-art and historic works. Selected references from the 1960's have been included, but the emphasis is on references published from 1975 to 1987. The references are arranged by very broad categories. Often a paper will cover more than one topic, but for the purposes of this bibliography it will be cited only once.

Jason, Nora H.↗
NASA NTRS2025

Tutorial: MATLAB Implementation of a Successive Convexification Algorithm for 3 DoF Rocket Landings

The primary objective of this work is to fill in gaps and explore an alternate way of solving the 3 DoF rocket-powered landing problem presented in the 2016 AIAA paper by Szmuk, Ackimese, and Berning using successive convexification (SCvx). In the original paper, CVX, an automatic parsing package, was used to transcribe the high-level trajectory optimization problem into a format that could be read by a conic solver. The parsing step, generally computationally intensive, is hidden from the user. The use of CVX is sufficient for the generation of trajectories off-line due to the lack of runtime and flight software implementation constraints. For on-line applications, it is necessary to parse the problem for flight software implementation. References on hand-parsing powered descent guidance (PDG) problems are sparse. In this Tech Memo, the process of transcribing the 3 DoF PDG problem into the format required by MATLAB’s built-in second-order cone solver, coneprog.m, is presented in detail. Due to the abridged 3 DoF dynamics and the relatively simple nonlinearities, this reference is the natural starting point for anyone interested in grasping the concepts behind SCvx pertaining to PDG and the parsing step. Simulation results shown in this report were independently created by solving the problem using coneprog.m. The intent of this memo is to serve as a supplemental material to the original paper by breaking down the concept behind successive convexification and shed light into the parsing process. Readers are encouraged to first familiarize themselves with the material laid out in the original reference.

Alex Hayes↗
NASA NTRS1986

On 3-D inelastic analysis methods for hot section components (base program)

A 3-D Inelastic Analysis Method program is described. This program consists of a series of new computer codes embodying a progression of mathematical models (mechanics of materials, special finite element, boundary element) for streamlined analysis of: (1) combustor liners, (2) turbine blades, and (3) turbine vanes. These models address the effects of high temperatures and thermal/mechanical loadings on the local (stress/strain)and global (dynamics, buckling) structural behavior of the three selected components. Three computer codes, referred to as MOMM (Mechanics of Materials Model), MHOST (Marc-Hot Section Technology), and BEST (Boundary Element Stress Technology), have been developed and are briefly described in this report.

Wilson, R. B.↗
NASA NTRS1987

Advances in 3-D Inelastic Analysis Methods for hot section components

3-D Inelastic Analysis Methods are described. These methods consist of a series of new computer codes embodying a progression of mathematical models (mechanics of materials, specialty finite element, boundary element) for streamlined analysis of: (1) combustor liners, (2) turbine blades, and (3) turbine vanes. These models address the effects of high temperatures and thermal/mechanical loadings on the local (stress/strain) and global (dynamics, buckling) structural behavior of the three selected components. Three computer codes, referred to as MOMM (Mechanics of Materials Model), MHOST (MARC-Hot Section Technology), and BEST (Boundary Element Stress Technology), have been developed and are briefly described in this paper.

Chamis, Christos C.↗
NASA NTRSDate not supplied

Analysis of Igniter/Promoter Material Effects on Burn Length Variability in Astm G124 Standard Testing

ASTM G124 refers to the “Standard Test Method for Determining the Combustion Behavior of Metallic Materials in Oxygen Enriched Atmospheres”. Major test parameters are well defined in the standard and a detailed description of how to set up and conduct the test is also included. However, one variable - the igniter/promoter system - is not clearly restricted or specified. Due to the fact that this igniter/promoter system is not definitively specified, multiple materials have been used. This lack of specificity in igniter/promoter material was identified as a potential source of variability in test results, and as such has been selected for this study as a parameter to analyze and identify if the igniters/promoters should be standardized. For that purpose, several igniter/promoter systems have been selected (that were currently in use at various laboratories) which would be tested via ASTM G124 with Inconel 718 test rods. Testing was conducted over two phases – the first for screening promoter effects in the transition region of the material, and the second for comparing measured flammability thresholds identified through testing by each igniter/promoter type. The results of this study have found that igniter/promoter material is not a statistically significant factor in the variability of burn length in test samples. Initial results showing variability was likely due to small sample size, as the issue became less pronounced once more samples were tested and more data generated. Each of the igniter/promoter systems tested were effective at determining flammability thresholds and so it is concluded that no specific igniter/promoter needs to be identified in the ASTM G124 test standard.

oxygen compatibility↗