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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Near isothermal compressed air energy storage system in residential and commercial buildings: Techno-economic analysis

Electrical energy storage systems offer a wide range of options to efficiently manage our power supply infrastructure. Energy and environmental security via renewable resources and energy storage devices will also play a critical role in addressing the supply-demand challenges. A novel energy efficient storage system based on near isothermal compressed air energy storage concept, named as Ground-Level Integrated Diverse Energy Storage (GLIDES) is analyzed for integration with residential and commercial buildings. Additionally, the influence of different configurational aspects on key performance and cost attributes is presented in this study. GLIDES modules in the range of 0.5 kWh–15 kWh configurations were considered for residential buildings whereas 25 kW h–500 kW h modules were considered for commercial buildings. Detailed cost and performance analysis of the GLIDES module proved them to be an effective resource in lowering the peak energy demand and corresponding utility bills.

25 ENERGY STORAGE↗
DOE OSTI2022

Impact of cyber attacks on distributed compressive sensing based state estimation in power distribution grids

Modern power distribution grids suffer from multiple vulnerabilities due to the tight integration between the physical system and the cyber infrastructure. Sophisticated and malicious cyber attacks continue to adversely impact the grid operation leading to performance degradation, service interruption, and grid failure. State estimation plays an essential role in grid monitoring and advancing cyber-attack situational awareness. In this regard, this paper first proposes a distributed compressive sensing (CS) state estimation approach for an unobservable distribution grid. Further, the proposed distributed CS approach divides the distribution grid into sub-areas to perform local state estimation. Then an alternating direction method of multipliers (ADMM) based iterative information exchange among neighboring areas is employed to complete the estimation process. In this estimation process, the impact of loss of measurement data, false data injection (FDI), replay, and neighborhood cyber-attacks is analyzed. Extensive simulations are performed on the IEEE 37-bus and IEEE 123-bus standard networks to demonstrate the algorithm’s robustness to the aforementioned cyber-attacks. A quantitative analysis of computational complexity and simulation time of the distributed CS based approach is also presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Crystal plasticity modeling of strain-induced martensitic transformations to predict strain rate and temperature sensitive behavior of 304 L steels: Applications to tension, compression, torsion, and impact

This paper advances crystallographically-based Olson-Cohen (direct γ → α’) and deformation mechanism (indirect γ→ε→α’) phase transformation models for predicting strain-induced austenite to martensite transformation. Here, the advanced transformation models enable predictions of not only strain-path sensitive, but also of strain-rate and temperature sensitive deformation of polycrystalline stainless steels (SSs). The deformation of constituent grains in SSs is modeled as a combination of anisotropic elasticity, crystallographic slip, and phase transformation, while the hardening is based on the evolution of dislocation density and explicit shifts in phase fractions. Such grain-scale deformation is implemented within the meso-scale elasto-plastic self-consistent (EPSC) homogenization model, which is coupled with the implicit finite element (FE) method to provide a constitutive response at each FE integration point for solving boundary value problems at the macro-scale. Parameters pertaining to the hardening and transformation models within FEEPSC are calibrated and validated on a suite of data including flow curves and phase fractions for monotonic compression, tension, and torsion as a function of strain-rate and temperature for wrought and additively manufactured (AM) SS304L. To illustrate the potential and accuracy of the integrated multi-level FE-EPSC simulation framework, geometry, mechanical response, phase fractions, and texture evolution are simulated during gas-gun impact deformation of a cylinder and quasi-static tension of a notched specimen made of AM SS304L. Details of the simulation framework, comparison between experimental and simulation results, and insights from the results are presented and discussed.

304L steels↗
DOE OSTI2024

Reduced-dimension Bayesian optimization for model calibration of transient vapor compression cycles

Development and calibration of first-principles dynamic models of vapor compression cycles (VCCs) is of critical importance for applications that include control design and fault detection and diagnostics. Nevertheless, the inherent complexity of models that are represented by large systems of differential–algebraic equations leads to significant challenges for model calibration processes that utilize classical gradient-based methods. Bayesian optimization (BO) is a sample-efficient and gradient-free approach using a probabilistic surrogate model and optimal search over a feasible parameter space. Despite the benefits of BO in reducing computational costs, challenges remain in dealing with a high-dimensional calibration task resulting from a large set of parameters that have significant impacts on system behavior and need to be calibrated simultaneously. This paper presents a reduced-dimension BO framework for calibrating transient VCCs models where the calibration space is projected to a low-dimensional subspace for accelerating convergence of the solution algorithm and consequently reducing the number of transient simulations. The proposed approach was demonstrated via two case studies associated with different VCC applications where 10 parameters were calibrated in each case using laboratory measurements. The reduced-dimension BO framework only required 1 / 8 th of the iterations associated with a standard BO method that deals with high-dimensional calibration parameters for converged solutions and yielded comparable accuracy. Furthermore, both calibrated models revealed significant accuracy improvements compared to uncalibrated models.

Ma, Jiacheng↗
DOE OSTI2023

Robust second-order approximation of the compressible Euler equations with an arbitrary equation of state

Here, this paper is concerned with the approximation of the compressible Euler equations supplemented with an arbitrary or tabulated equation of state. The proposed approximation technique is robust, formally second-order accurate in space, invariant-domain preserving, and works for every equation of state, tabulated or analytic, provided the pressure is nonnegative. An entropy surrogate functional that grows across shocks is proposed. The numerical method is verified with novel analytical solutions and then validated with several computational benchmarks seen in the literature including problems with composite waves.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Siloxane-modified polycarbosilane flexible Prepregs for fabrication of ceramic matrix composites via compression molding and PIP densification

For this work, the development of ceramic matrix composites (CMCs) using 5 harness satin carbon fiber fabric impregnated with commercial polycarbosilane precursor plasticized by siloxane copolymer was investigated aiming to improve wetting behavior and shape conformability. The polycarbosilane precursor and polysiloxane plasticizer were mixed at varying weight ratios to obtain flexible preceramic resin prepreg cloths. 13 plies of preceramic polymer prepreg cloths were stacked in 0/90° layup and cured by compression molding, followed by densified via PIP process. The CMCs were densified with eight PIP cycles followed by final crystallization at 1600 °C. The CMCs made with 10 wt% polysiloxane loading showed lower viscosity of the prepreg resin as well as higher strength and displacement to failure compared to those fabricated from unplasticized polycarbosilane prepolymer. In contrast, at higher concentration of plasticizer, viscosity of the prepreg resin increased, and the CMC became more brittle; however, it exhibited considerably higher thermal conductivity.

Carbosilane↗
DOE OSTI2025

Fast-rate joining of thermoplastic composites using integrated additive manufacturing and compression molding process

The integration of additive manufacturing (AM) technology with compression molding (CM), has emerged as a high-performance composite manufacturing technology in recent years. In the AM-CM process, quickly deposited AM preform on a mold undergoes a rapid compaction cycle to fabricate structurally robust composite parts due to highly controlled fiber alignment (from AM) and reduced porosity (from CM). Currently, AMCM-based part size is limited by the size of the mold volume, thus posing a challenge to manufacture scalable parts. Here, this work focuses on joining techniques developed to enable fast rate joining of short fiber-reinforced thermoplastic composite parts using the AM-CM process. Acrylonitrile butadiene styrene resin reinforced with 20 wt% short carbon fiber composites was printed onto a flat mold and pressed under a hydraulic press. Fabricated panels were joined by the (a) mechanical impression at the joining interface and (b) over-molded continuous carbon fiber (CCF) sheet. Tensile tests were performed to characterize the joining strength of both mechanical impression-based joints and CCF over molded joints. Among the mechanical impression-based joints, a U-shape channel allowed the fibers to flow between two joint parts, and 280 % increased mechanical properties were observed. The continuous carbon fiber-based over molded joint CCF showed 350 % increase in tensile strength compared to the butt joints.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Compression behavior of lithium fluoride up to 80 GPa and 2300 K

Here, the high-temperature compression behavior of lithium fluoride (LiF) has been determined to ∼80 GPa and 2300 K by means of high-resolution synchrotron-based x-ray diffraction in a laser-heated diamond-anvil cell. The room-temperature Vinet equation of state (EOS) for LiF yields an isothermal room-temperature, ambient-pressure lattice parameter a 0 = 4.028 (±0.003) Å, volume V 0 = 65.35 (±0.03) Å 3 , bulk modulus K 0 = 67.57 (±0.34) GPa, and its pressure derivative K 0 ’ = 4.64 (±0.03). This expanded experimental dataset is in good agreement with the LiF thermal equation of state by Myint et al. (2019) up to ∼2300 K and 25 GPa. At higher pressures and temperatures our data shows reduced thermal expansion compared to the prediction and may be particularly important for experiments at more extreme conditions.

High-pressure behavior↗
DOE OSTI2022

Compressible battery foams to prevent cascading thermal runaway in Li-ion pouch batteries

Lithium-ion battery packs require thermal management to achieve optimum life and safety. This is becoming crucial for battery packs composed of high-energy-density cells. Pouch cells themselves achieve highest packaging efficiency but require additional structural support and thermal management when grouped into modules, especially under abusive conditions such as thermal runaway. Novel foam battery pads have demonstrated to cushion volume changes of pouch cells and are reengineered in this study to mitigate cell-to-cell thermal runaway propagation. The compressible pads are made of polyurethane foams incorporating flame-retardant additives or coatings, including intumescent and fire wall materials. Here their performances were evaluated by conducting nail penetration tests on modules composed of pouch cells at 100% state of charge (SOC), with the foams placed in between the cells. Experimental results show cascading thermal runaway was considerably delayed by polyurethane foams incorporating flame-retardant additives or coatings. Complete prevention of cascading failure was achieved with dense polyurethane foams with multilayered coatings of both fire wall and intumescent materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Reversible hydrogen storage in multilayer graphane: Lattice dynamics, compressibility, and heat capacity studies

Multilayer graphane (hydride of graphite) is a crystalline hydrocarbon of composition CH, which can be synthesized from graphite and molecular hydrogen at pressures above 2GPa [V.E. Antonov et al. Carbon 100 (2016) 465]. Using X-ray diffraction, this compound was tentatively identified as the “graphane II” phase of 3D-graphane predicted by ab initio calculations [X.-D. Wen et al. PNAS 108 (2011) 6833] and consisting of layers of 2D-graphane in the “chair” conformation. When heated in a vacuum, the compound does not form any intermediate hydrocarbons and reversibly decomposes back into graphite and hydrogen at 770–920 K. In the present work, almost single-phase samples of graphite hydride and deuteride were synthesized at 7.4 GPa and 870 K. Their investigation by inelastic neutron scattering supplemented by ab initio calculations gave spectra g(E) of the phonon density of states with a gap of about 15 meV at approx. 100 meV, which is a unique identifier for the chair form of graphane. The equation of state V(P) of the hydride was studied at room temperature and hydrogen pressures up to 53 GPa by synchrotron X-ray diffraction in a diamond anvil cell. Further, the graphane II phase did not react with the surrounding hydrogen and did not undergo any phase transformations upon the compression and after heating to 1500 K at 53GPa. The high thermal and pressure stability of this exotic phase makes it an important part of the C–H system. The obtained g(E) spectra of graphite hydride and deuteride were used to calculate temperature dependences of their heat capacity. Measurements of the heat capacity at temperatures 120–673 K confirmed the good accuracy of these calculations.

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

Acoustic velocities, elasticity, and pressure-induced elastic softening in compressed neodymium

For the first time, the acoustic velocities and elasticity of double hexagonal close-packed neodymium (Nd) were measured at high pressure using ultrasonic interferometry in conjunction with synchrotron X-ray techniques. Here, both the compressional and shear wave velocities increased with an increase in pressure of up to ~5.4 GPa before they exhibited almost constant values upon further compression. This pressure-induced elastic wave velocity softening can be attributed to the structural instability in dhcp-Nd. From the current sound velocities and density data, we obtained new bulk and shear moduli as well as their pressure dependence for polycrystalline dhcp-Nd, yielding $B_0$=33.2(9) GPa, $G_0$=14.1(5) GPa, $\partial$$B/$$\partial$$P$ = 3.6 (4) and $\partial$$=G/$$\partial$$P$ = 1.3 (2) while other elasticity-related/mechanical properties, including Young's modulus, Debye temperature, Poisson's ratio, and Grüneisen parameter, which are important parameters for the application of Nd in extreme environments, were also derived.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High strain-rate compression behavior of polymeric rod and plate Kelvin lattice structures

The compressive high strain-rate behavior of polymeric Kelvin lattice structures with rod-based or plate-based unit cells was investigated through experimental techniques and finite element simulations. Polymeric lattice structures with 5x5x5 unit cell geometries were manufactured on the millimeter scale using vat polymerization additive manufacturing and tested at low (0.001/s) and high (1000/s) strain-rates. High strain-rate experiments were performed and validated for a viscoelastic split-Hopkinson (Kolsky) pressure bar system (SHPB) coupled with high-speed imaging and digital image correlation (DIC). Experimental results at both low and high strain-rates show the formation of a localized deformation band which was more prevalent in low relative density specimens and low strain-rate experiments. Strain-rate effects of lattice specimens strongly correlate with effects of the base polymer material; both bulk polymer and lattice specimen demonstrated strain-rate hardening, strain-rate stiffening, and decreased fracture strain under dynamic loading. Results show mechanical failure properties and energy absorption depended strongly on the relative density of the lattice specimen and exhibited distinct scaling between relative density and geometry type (rod, plate) and loading rate. High relative density plate-lattices demonstrated inferior mechanical properties to rod-lattices; however, there exists a critical relative density for a given mechanical property (17%- 28%) below which plate-lattices outperform rod-lattices of similar mass. As a result, high strain-rate explicit finite element simulations were performed and showed good agreement with the mechanical failure trends and deformation modes observed in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of lattice orientation on compressive properties of selective laser sintered nylon lattice coupons

As AM lattices become more popular in medical devices, it is important to consider how lattice design parameters affect the mechanical integrity and performance of a device. This research investigated the effect of lattice orientation on the compressive mechanical response of five common lattice geometries: Hexagonal Honeycomb (Hex), Diamond, Voronoi Tessellation Method (VTM), sheet-based Gyroid, and Face-Centered-Cubic (FCC). Samples were tested at two relative densities and eight orientations, printed in Nylon 12 (PA2200) on an EOS P396. The mechanical response was compared to simulated finite element analysis (FEA) response for Hex and FCC lattices. Hex lattices displayed significant orientation dependance. Diamond lattices demonstrated some orientation dependance when at a lower relative density. Gyroid, FCC, and VTM all displayed minimal orientation dependance. Increasing lattice relative density appeared to reduce anisotropy among tested orientations of all lattice geometries except Hex. FEA simulations were able to produce a trend response that matched the mechanical response trends based on the investigated orientations. Furthermore, these results support the need for multi axial lattice mechanical test considerations. It also bolsters the need for lattice FEA models to have a sufficient comparator when identifying “worst-case” lattice test scenarios.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Monitoring and characterization of particle contamination in the pulse compression chamber of the OMEGA EP laser system

The laser-damage performance of optics is known to be negatively affected by microscale particle contamination induced by the operational environment. This work investigates the properties of particles accumulating in various locations near critical optics inside the OMEGA EP grating compressor chamber during quarterly operational periods over a 2-year duration. The particles found were characterized using optical microscopy, scanning electron microscopy and energy dispersive X-ray spectroscopy. The analysis indicates significant concentrations of micrometer- to nanometer-scale particles inside the vacuum chamber, with higher values observed near the port leading to the OMEGA EP target chamber. The distribution of the chemical composition of these particles varies between collection periods. Although understanding of the mechanisms of particle generation and transport remains uncertain, the hypothesis is that this particle load represents a risk for contaminating the surfaces of high-value optics located inside the chamber, including the compression gratings and deformable mirrors, and therefore affecting their laser-damage resistance and overall operational lifetime.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Encoding of linear kinetic plasma problems in quantum circuits via data compression

We propose an algorithm for encoding linear kinetic plasma problems in quantum circuits. The focus is on modelling electrostatic linear waves in a one-dimensional Maxwellian electron plasma. The waves are described by the linearized Vlasov–Ampère system with a spatially localized external current that drives plasma oscillations. This system is formulated as a boundary-value problem and cast in the form of a linear vector equation Aψ = b to be solved by using the quantum signal processing algorithm. The latter requires encoding of matrix A in a quantum circuit as a sub-block of a unitary matrix. We propose how to encode A in a circuit in a compressed form and discuss how the resulting circuit scales with the problem size and the desired precision.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Reduced Dislocation Introduction in III–V/Si Heterostructures with Glide-Enhancing Compressively Strained Superlattices

The novel use of a GaAs y P 1-y /GaP compressively-strained superlattice (CSS) to provide enhanced control over misfit dislocation (MD) evolution and threading dislocation density (TDD) during GaP/Si metamorphic heteroepitaxy is demonstrated. Here, the insertion of the CSS just after critical thickness, and thus prior to substantial dislocation introduction, is found to yield significantly reduced TDD in relaxed, 500 nm thick, n-type GaP/Si versus comparable control samples. The impact of CSS period count on average TDD and the overall dislocation network morphology was examined, supported by quantitative microstructural characterization, revealing a nearly 20× relative TDD reduction (to 2.4 ± 0.4×10 6 cm -2 ) with a 3-period CSS structure. A similarly low TDD (3.0 ± 0.6×10 6 cm -2 ) is maintained when the resultant n-GaP/Si virtual substrate is used for the growth of a subsequent n-type GaAs 0.75 P 0.25 -terminal GaAs y P 1-y step-graded metamorphic buffer. Although the physical mechanism for TDD reduction provided by these structures is not yet entirely understood, this initial work suggests that enhanced glide dynamics of MDs at or within the CSS placed early in the growth leads to a reduction in the total number of dislocations introduced overall, as opposed to annihilation-based reduction that occurs in conventional strained-layer superlattice dislocation filter approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Polymorphism and Negative Linear Compressibility in Pyrazine-d4

Pyrazine (1,4-diazine) is a widely used linker in coordination polymers, molecular magnets, and metal–organic frameworks, yet its solid-state polymorphism is controlled by weak C–H···N interactions. Using variable-temperature and high-pressure neutron diffraction, a previously unrecognized low-temperature transition to phase IV is identified, showing that the form stabilized under pressure can also be accessed below ∼90 K at ambient pressure in the perdeuterated compound. The transition from phase III → IV involves a symmetry-breaking lattice distortion driven by the reorganization of C–H···N hydrogen bonds, accompanied by negative linear compressibility, which is primarily accommodated through the reduction in void-space within the structure. Structural analysis reveals that while the overall monoclinic framework of phase IV is preserved under both temperature and pressure routes, the evolution of hydrogen-bonded network is distinct depending on the pathway taken. These results establish pyrazine as a model molecular solid for studying pressure–temperature polymorphism and demonstrate how weak directional interactions can produce anomalous mechanical responses in organic crystals.

Ridley, Christopher J. [Oak Ridge National Laborat↗
DOE OSTI2020

Insight into the Chemistry of PETN Under Shock Compression Through Ultrafast Broadband Mid-Infrared Absorption Spectroscopy

In this study, thin films of pentaerythritol tetranitrate (PETN) were shock compressed using the laser driven shock apparatus at Los Alamos National Laboratory (LANL). Two spectroscopic probes were available to this apparatus: visible white light transient absorption spectroscopy (VIS) from 400 to 700 nm and mid-infrared transient absorption spectroscopy (MIR) from 1150 to 3800 cm –1 . Important PETN vibrational modes are the symmetric and antisymmetric NO 2 stretches at 1280 and 1650 cm –1 , respectively, as well as CH stretches at ~2900 cm –1 . Shock strength was varied from approximately 3 to 55 GPa to span from the chemically unreactive regime to the regime in which fast chemical reaction took place on the 250 ps time scale of the measurements. VIS and MIR results suggest irreversible chemistry was induced in PETN at pressures above 30 GPa. At lower shock pressures, the spectroscopy showed minimal changes attributable to pressure induced effects. Under the higher-pressure reactive conditions, the frequency region at the antisymmetric NO 2 stretch mode had a significantly increased absorption while the region around the symmetric NO 2 stretch did not. No observable increased absorption occurred in the higher frequency regions where CH-, NH-, and OH- bond absorptions would be observed. A broad absorption appeared on the shoulder at the red-edge of the CO 2 vibrational band around 2200 cm –1 . In addition to the experiments, reactive molecular dynamics were carried out under equivalent shock conditions to correlate the evolution of the infrared spectrum to molecular processes. The simulations show results consistent to experiments up to 30 GPa but suggest that NO and NO 2 related features provided the strongest contributions to the shocked infrared changes. Proposed mechanisms for shocked PETN chemistry are analyzed as consistent or inconsistent with the data presented here. Our experimental data suggests C≡O or N 2 O bond formation, nitrite formation, and absence of significant hydroxyl or amine concentrations in the initial chemistry steps in PETN shocked above 30 GPa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗