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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 OSTI2020

The Effect of Artificial SEIs on Lithium Metal Anode Morphology and Conductivity

Lithium metal has often been termed the “holy grail” of battery technology, due to its high capacity (2,061 mAh/cm3) and low electrochemical potential (-3.04 V vs. SHE). However, lithium’s beneficially low potential also causes it to be highly reactive in the presence of organic solvents, making it difficult to harness the high energy capabilities for rechargeable batteries. Common failure of lithium metal batteries occurs by rapid dendrite growth leading to a hazardous short-circuit. Various methods have been brought forth to better understand the fundamental mechanisms of lithium metal batteries, as well as modifications made to better stabilize lithium metal. A common route of modification is done through interface engineering, with attempts to artificially provide a stable, homogeneous solid-electrolyte interface (SEI). The stability of the SEI has direct effects on the heterogeneity of the electrode surface, which initiates a waterfall effect of for progressive reactions such as dendrite growth, dead lithium accumulation, and electrolyte consumption. This work aims to produce a mixed LiI-LiF artificial SEI to improve ionic conductivity while retaining a high elastic modulus.

25 ENERGY STORAGE↗
DOE OSTI2025

Rapid Bayesian High Entropy Alloy Designs Fabricated via Wire Arc Additive Manufacturing

Purpose: This project seeks to demonstrate a new high-throughput (rapid) alloy design technique applied to creating new high entropy alloys (HEAs) for extreme environments. High entropy alloys shift the design paradigm from being focused on a single principal element (e.g. nickel-based alloys) to target alloys that include high atomic fractions (X >10%) of multiple elements. These HEA materials can exhibit sluggish diffusion and enhanced corrosion resistance, ideal for potential applications in advanced ultra supercritical (A-USC) steam cycles for power generation. Scope: The addition of multiple elements in high atomic fractions creates an enormous design space that cannot easily be investigated by traditional material design strategies such as designed of experiments (DOE). This project utilizes a Bayesian machine learning algorithm that has been modified to work with calculation of phase diagrams (CALPHAD) software. This Bayesian algorithm reduces manual inputs and increase the likelihood of achieving an optimal solution. Compositional inputs to this algorithm will be assessed using existing material property models for high temperature strength and corrosion resistance. The target for alloy performance will be a 15% (~100 ⁰C) increase in allowable service temperature beyond heat-resistant stainless steels while maintaining or improving alloy cost and corrosion resistance. Haynes 230 was selected as a baseline, which is 57 wt% Ni with 22 wt% Cr 14 wt% W, and 2 wt% Mo as solid solution strengtheners. In addition to rapid design via Bayesian machine learning, the alloys were rapidly fabricated using a multi-wire arc additive manufacturing (mWAAM) technique which allows for precise control of alloy composition and assessing of alloy design “windows” to study composition effects. Build speeds for wire-arc additive processes are among the highest for additive technologies enabling rapid and reliable sample fabrication when compared to conventional methods such as arc button melting. The mWAAM samples will be rapidly characterized via instrumented indentation for room temperature modulus and strength and for elevated temperature strength via hot hardness tests. After being screened with hardness testing, potential alloys will be further evaluated with conventional microscopy techniques including scanning electron microscopy (SEM) and transmission electron microscopy (TEM) to assess agreement with modeling results. The most promising compositions will also be evaluated by printing full sized tensile specimens for mechanical behavior tests at elevated temperatures. Results: Bayesian machine learning of a single performance function was initially used to optimize five performance metrics: 1) single phase stability, 2) yield strength, 3) creep resistance (low diffusion coefficient), 4) freezing range (weldability), and 5) material cost. The single performance function was suboptimal as assumptions had to be made about the results while formulating the optimization. A goal-oriented Bayesian optimization strategy (Hanaoka, 2021) was implemented with CALPHAD for use with the five metrics above. This multi-objective Bayesian optimization (MOBO) enabled the design of NiCrCoFe alloys with V and W additions. A base composition of NiCoCr was selected as Ni provides a stable FCC matrix, Cr aids corrosion/oxidation resistance, and Co is a solid-solutions strengthener that also improves creep by increasing the activation energy. Fe helps reduce diffusion coefficients and cost. Finally, V and W were selected for their reasonable solubility and high atomic misfit to aid in solid solution strengthening. Cracking of the mWAAM specimens was an early issue, and the Easton solidification cracking model (Easton et al., 2014a) was selected for addition to the MOBO function. High performing alloys fabricated by mWAAM included Ni 28 Cr 25 Co 26 Fe 15 V 8 and Ni 62 Cr 18 Co 1 Fe 3 W 15 . It was observed that even after adapting the mWAAM process for W, the W did not fully dissolve. To fully evaluate the Ni 62 Cr 18 Co 1 Fe 3 W 15 composition, a cored wire (80-20 NiCr sheath/powder core) was manufactured and printed via WAAM, and HIP’ing was utilized to homogenize and densify the printed alloy. The V and W alloys produced met metrics 1 (solid solution), 4 (solidification cracking), and 5 (cost). However, an unmodeled mechanism of thermal stress cracking was identified in the WAAM produced materials, perhaps exacerbated by the lack of grain boundary strengthening elements (B, C). Conclusions & Recommendations: A high-throughput (rapid) alloy design technique was applied to designing and manufacturing new high entropy alloys (HEAs) for extreme environments utilizing MOBO and mWAAM. The developed process was rapid and effective in addressing the mechanisms included in the model. The lack of grain boundary strengthening element additions (e.g., B, C) was a simplification that likely produced thermal stress cracking that turned into a large part of the investigation. Additions on the order of 0.005 wt% B and 0.05 wt% C likely would have minimized thermal stress grain boundary cracking. Overall, the high throughput design strategy is promising for rapid design of metrics-driven alloys for advanced ultra supercritical (A-USC) steam cycles for power generation. The MOBO and mWAAM process could be commercialized to accelerate metrics-driven alloy design. In addition, the cored-wire process utilized for scale-up is a promising high-volume process for WAAM alloy development and scale-up.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanical properties of zeolite-templated carbons from approximate density functional theory calculations

Zeolite-templated carbon (ZTC) is a unique porous carbonaceous material whose structure is ordered at the nanometre scale, enabling a representative periodic description at the atomistic level. Utilizing an existing, well-defined reference model for ZTCs, a structural library of varying compositions was developed by refinement using density-functional tight-binding (DFTB) potentials parameterized for materials science applications. We first determined the quantum chemical-refined structures of models with CH, CHO, CHON, CHOB, and CHOBN compositions with various degrees of heteroatom substitution. These structural models comprise the characteristic morphological features of highly porous carbon materials, such as open-blade surfaces, edges, saddles, and closed-strut formations, spanning a range of curvatures and characteristic sizes. Second, we carried out alternating compression and expansion of the CHO model unit cell to determine the lowest energy structure as well as to obtain its bulk modulus in order to demonstrate a close connection between macroscopic observations and atomic-scale structures. Further, the agreement between experimental measurements and the computational model is remarkable and demonstrates the power of approximate density functional theory as a cost-effective computational tool with chemical accuracy for the investigation of structure/property relationships in real-world carbon-based solids.

03 NATURAL GAS↗
NASA NTRS1990

Mechanical strength and thermophysical properties of PM212: A high temperature self-lubricating powder metallurgy composite

A powder metallurgy composite, PM212, composed of metal bonded chromium carbide and solid lubricants is shown to be self-lubricating to a maximum application temperature of 900 C. The high temperature compressive strength, tensile strength, thermal expansion and thermal conductivity data needed to design PM212 sliding contact bearings and seals are reported for sintered and isostatically pressed (HIPed) versions of PM212. Other properties presented are room temperature density, hardness, and elastic modulus. In general, both versions appear to have adequate strength to be considered as sliding contact bearing materials, but the HIPed version, which is fully dense, is much stronger than the sintered version which contains about 20 percent pore volume. The sintered material is less costly to make, but the HIPed version is better where high compressive strength is important.

Edwards, Phillip M.↗
NASA NTRS1985

Interaction between a crack and a soft inclusion

With the application to weld defects in mind, the interaction problem between a planar-crack and a flat inclusion in an elastic solid is considered. The elastic inclusion is assumed to be sufficiently thin so that the thickness distribution of the stresses in the inclusion may be neglected. The problem is reduced to a system of four integral equations having Cauchy-type dominant kernels. The stress intensity factors are calculated and tabulated for various crack-inclusion geometries and the inclusion to matrix modulus ratios, and for general homogeneous loadiong conditions away from the crack-inclusion region.

Xue-Hui, L.↗
NASA NTRS2015

Development and Characterization of a Rate-Dependent Three-Dimensional Macroscopic Plasticity Model Suitable for Use in Composite Impact Problems

Several key capabilities have been identified by the aerospace community as lacking in the material/models for composite materials currently available within commercial transient dynamic finite element codes such as LS-DYNA. Some of the specific desired features that have been identified include the incorporation of both plasticity and damage within the material model, the capability of using the material model to analyze the response of both three-dimensional solid elements and two dimensional shell elements, and the ability to simulate the response of composites composed with a variety of composite architectures, including laminates, weaves and braids. In addition, a need has been expressed to have a material model that utilizes tabulated experimentally based input to define the evolution of plasticity and damage as opposed to utilizing discrete input parameters (such as modulus and strength) and analytical functions based on curve fitting. To begin to address these needs, an orthotropic macroscopic plasticity based model suitable for implementation within LS-DYNA has been developed. Specifically, the Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The coefficients in the yield function are determined based on tabulated stress-strain curves in the various normal and shear directions, along with selected off-axis curves. Incorporating rate dependence into the yield function is achieved by using a series of tabluated input curves, each at a different constant strain rate. The non-associative flow-rule is used to compute the evolution of the effective plastic strain. Systematic procedures have been developed to determine the values of the various coefficients in the yield function and the flow rule based on the tabulated input data. An algorithm based on the radial return method has been developed to facilitate the numerical implementation of the material model. The presented paper will present in detail the development of the orthotropic plasticity model and the procedures used to obtain the required material parameters. Methods in which a combination of actual testing and selective numerical testing can be combined to yield the appropriate input data for the model will be described. A specific laminated polymer matrix composite will be examined to demonstrate the application of the model.

Impact↗
DOE OSTI2023

Structure-mechanical properties correlation in bulk LiPON glass produced by nitridation of metaphosphate melts

The glassy solid electrolyte Lithium phosphorous oxynitride (LiPON) has been widely researched in thin film solid state battery format due to its outstanding stability when cycled against lithium. In addition, recent reports show thin film LiPON having interesting mechanical behaviors, especially its ability to resist micro-scale cracking via densification and shear flow. Here, in the present study, we have produced bulk LiPON glasses with varying nitrogen contents by ammonolysis of LiPO 3 melts. The resulting compositions were determined to be LiPO 3-3z/2 N z , where 0 ≤ z ≤ 0.75, and the z value of 0.75 is among the highest ever reported for this series of LiPON glasses. The short-range order structures of the different resulting compositions were characterized by infrared, Raman, 31 P magic angle spinning nuclear magnetic resonance, and X-ray photoelectron spectroscopies. Instrumented nano-indentation was used to measure mechanical properties. It was observed that similar to previous studies, both trigonally coordinated (N t ) and doubly bonded (N d ) N co-exist in the glasses in about the same amounts for z ≤ 0.36, the limit of N content in most previous studies. For glasses with z > 0.36, it was found that the fraction of the N t increased significantly while the fraction of N d correspondingly decreased. The incorporation of nitrogen increased both the elastic modulus and hardness of the glass by approximately a factor of 1.5 when N/P ratio reaches 0.75. At the same time, an apparent embrittlement of the glass was observed due to nitridation, which was revealed by nanoindentation with an extra sharp nanoindenter tip.

25 ENERGY STORAGE↗
NASA NTRS1982

Solid impingement erosion mechanisms and characterization of erosion resistance of ductile metals

Experimental results pertaining to spherical glass bead and angular crushed glass particle impingement are presented. A concept of energy adsorption to explain the failure of material is proposed. The erosion characteristics of several pure metals were correlated with the proposed energy parameters and with other properties. Correlations of erosion and material properties were also carried out with these materials to study the effect of the angle of impingement. Analyses of extensive erosion data indicate that surface energy, strain energy, melting point, bulk modulus, hardness, ultimate resilience, atomic volume and product of linear coefficient of thermal expansion, bulk modulus, and temperature rise required for melting, and ultimate resilience, and hardness exhibit the best correlations. It appears that both energy and thermal properties contribute to the total erosion.

Rao, V. P.↗
DOE OSTI2025

Assessment of critical flaw sizes and crack driving forces during additive manufacturing of metallic materials

Additive manufacturing (AM) of complex engineering components is often plagued by a high susceptibility to cracking, particularly in high-strength metallic materials. While alloy design efforts have made progress in mitigating solidification defects, there remains a need for mechanistic guidelines to predict susceptibility to solid-state cracking. To address this gap, driving forces for the growth of melt pool cracks are calculated across a wide range of alloys using an efficient computational framework. Calculations are coupled with rapid single track laser experiments to elucidate trends in cracking from laser melting. The analyses conducted here highlight the important role of material properties in susceptibility to cracking, notably fracture toughness and elastic modulus. An important finding is that residual stresses that are limited in magnitude to the yield stress of the material are likely insufficient to drive cracking during cooling. Furthermore, the implications of these results are discussed in the context of alloy design for AM and residual stress accumulation during AM.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Simulating Fracture Sealing by Granular LCM Particles in Geothermal Drilling

Lost circulation occurs when the returned fluid is less than what is pumped into the well due to loss of fluid to pores or fractures. A lost-circulation event is a common occurrence in a geothermal well. Typical geothermal reservoirs are often under-pressured and have larger fracture apertures. A severe lost-circulation event is costly and may lead to stuck pipe, well instability, and well abandonment. One typical treatment is adding lost-circulation materials (LCMs) to seal fractures. Conventional LCMs fail to properly seal fractures because their mechanical limit is exceeded at elevated temperatures. In this paper, parametric studies in numerical simulations are conducted to better understand different thermal effects on the sealing mechanisms of LCMs. The computational fluid dynamics (CFDs) and the discrete element method (DEM) are coupled to accurately capture the true physics of sealing by granular materials. Due to computational limits, the traditional Eulerian–Eulerian approach treats solid particles as a group of continuum matter. With the advance of modern computational power, particle bridging is achievable with DEM to track individual particles by modeling their interactive forces between each other. Particle–fluid interactions can be modeled by coupling CFD algorithms. Fracture sealing capability is investigated by studying the effect of four individual properties including fluid viscosity, particle size, friction coefficient, and Young’s modulus. It is found that thermally degraded properties lead to inefficient fracture sealing.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Characterization of hot-pressed von Alpen type NASICON ceramic electrolytes

The Na-ion conducting solid electrolyte NASICON is a promising solid state electrolyte (SSE) for use in Na based electrochemical systems. The effects of particle morphology and synthesis of von Alpen type NASICON via hot-pressing were investigated. Spray dried particles were shown to improve mechanical and electrochemical properties. X-ray diffraction, scanning electron microscopy, impulse excitation measurements, Vickers hardness, and impedance spectroscopy were used to correlate relationships between phase purity, microstructure, mechanical properties, and electrochemical properties. Scanning electron microscopy showed the presence of a glass phase as between 19.08% and 28.23% area percentage and a ZrO 2 phase between 0.46% and 3.51% area percentage in the hot-pressed samples. Impulse excitation showed elastic modulus varying from 83.65 to 97.65 GPa. The first values of Poisson's ratio and shear modulus of NASICON are reported as between 0.23 and 0.26 and 33.87 to 38.79 GPa, respectively. Vickers hardness and fracture toughness measurements showed Vickers hardness ranging from 4.30 to 4.68 GPa and fracture toughness ranging from 1.05 to 1.09 MPa m ½ . Impedance spectroscopy showed grain conductivities ranging from 1.023 to 1.287 mS/cm, with grain boundary resistance percentages between 73.22 and 47.5%. Total conductivities ranged from 0.292 to 0.596 mS/cm, with 0.596 mS/cm being achieved at room temperature for the spray dried powders with lower grain boundary resistance percentages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Shock-induced melting of [100] lithium fluoride: Sound speed and Hugoniot measurements to 230 GPa

Although [100] lithium flouride (LiF) is the most widely used optical window material in dynamic compression experiments, its high stress (>100 GPa) shock compression response, including melting, is not well understood. To address this need, we measured wave profiles in plate impact experiments to determine the Hugoniot states and longitudinal sound speeds in [100] LiF crystals shock compressed to 231 GPa. The measured peak states are fitted well by a linear shock velocity-particle velocity relation, providing an accurate determination of the LiF Hugoniot curve to significantly higher stresses than previous experiments. The longitudinal sound speeds show a near linear increase with density compression to 182 GPa. Between 182 GPa and 195 GPa, the sound speed and the longitudinal modulus decrease abruptly, due to shock-induced melting. The increasing sound speeds and moduli at higher stresses suggest that shock compressed LiF is fully liquid at 195 GPa and above, allowing determination of the Gruneisen parameter for liquid LiF. Here, the melt stress determined here differs from that predicted by current multiphase equations of state for LiF. Our results provide important insight into the high stress solid and liquid states of shock compressed LiF and point to the need for an improved multiphase equation of state at high pressures and high temperatures.

36 MATERIALS SCIENCE↗
NASA NTRS1972

NASA technology utilization survey on composite materials

NASA and NASA-funded contractor contributions to the field of composite materials are surveyed. Existing and potential non-aerospace applications of the newer composite materials are emphasized. Economic factors for selection of a composite for a particular application are weight savings, performance (high strength, high elastic modulus, low coefficient of expansion, heat resistance, corrosion resistance,), longer service life, and reduced maintenance. Applications for composites in agriculture, chemical and petrochemical industries, construction, consumer goods, machinery, power generation and distribution, transportation, biomedicine, and safety are presented. With the continuing trend toward further cost reductions, composites warrant consideration in a wide range of non-aerospace applications. Composite materials discussed include filamentary reinforced materials, laminates, multiphase alloys, solid multiphase lubricants, and multiphase ceramics. New processes developed to aid in fabrication of composites are given.

Leeds, M. A.↗
NASA NTRS1998

IM7/LARC(tm) MPEI-1 Polymide Composites

LARC(Trademark) MPEI-1 (Langley Research Center(Trademark) modified phenylethynyl imide-1) phenylethynyl containing aromatic polymide, is based on the reaction of biphenyl dianhydride (BPDA), 3,4'-oxydianiline (3,4'-ODA), 1,3-bis(3-aminophenoxy)benzene (APB), 2,4,6-triaminopyrimidine (TAP) and 4-phenylethynyl phthalic anhydride (PEPA), presumably resulting in a mixture of linear, branched and star shaped phenylethynyl containing imides which was evaluated as a matrix for high-performance composites. The poly(amid acid) solution of MPEI-1 in N-methypyrrolidinone was synthesized at 35% and 42% solids. Unidirectional prepreg was fabricated from these solutions and Hercules IM7 carbon fiber utilizing NASA- Langley's multipurpose prepreg machine. The temperature-dependent volatile depletion rates, thermal crystallization behavior and resin theology were characterized. Based on this information, a composite molding cycle was developed which yielded well consolidated, void-free laminates. Composite mechanical properties such as short beam shear strength, longitudinal and transverse flexural strength and flexural modulus, longitudinal tensile strength and notched and unnotched compression strengths were measured at room temperature (RT) and elevated temperatures. These mechanical properties are compared with those of IM7/LARC(Trademark) PETI-5 composites.

Hou, T. H.↗
NASA NTRS2000

Fabrication of Fiber-Reinforced Celsian Matrix Composites

A method has been developed for the fabrication of small diameter, multifilament tow fiber reinforced ceramic matrix composites. Its application has been successfully demonstrated for the Hi-Nicalon/celsian system. Strong and tough celsian matrix composites, reinforced with BN/SiC-coated Hi-Nicalon fibers, have been fabricated by infiltrating the fiber tows with the matrix slurry, winding the tows on a drum, cutting and stacking of the prepreg tapes in the desired orientation, and hot pressing. The monoclinic celsian phase in the matrix was produced in situ, during hot pressing, from the 0.75BaO-0.25SrO-Al2O3-2SiO2 mixed precursor synthesized by solid state reaction from metal oxides. Hot pressing resulted in almost fully dense fiber-reinforced composites. The unidirectional composites having approx. 42 vol% of fibers exhibited graceful failure with extensive fiber pullout in three-point bend tests at room temperature. Values of yield stress and strain were 435 +/- 35 MPa and 0.27 +/- 0.01 percent, respectively, and ultimate strengths of 900 +/- 60 MPa were observed. The Young's modulus of the composites was measured to be 165 +/- 5 GPa.

Bansal, Narottam P.↗
DOE OSTI2022

Pressure-driven symmetry transitions in dense H 2 O ice

X-ray diffraction and Raman spectroscopy of H 2 O (ice) structures are measured under static compression in combination with grain normalizing heat treatment via direct laser heating. Here, we report the transition from cubic ice-VII to a structure of tetragonal symmetry, ice-VII t at 5.1 ± 0.5 GPa. This is succeeded by the H-bond symmetrization transition occurring at a pressure of 30.9 ± 3 GPa. Both experimental observations are supported by simulated Raman spectra from density-functional theory quantum calculations. The transition to H-bond symmetrization is evidenced by the reversible emergence of its characteristic Raman mode and a 2.5-fold increase in bulk modulus, implying a significant increase in bonding strength.

58 GEOSCIENCES↗
DOE OSTI2021

Estimation of the orientation of stress in the Earth’s crust without earthquake or borehole data

Abstract Mechanical stress acting in the Earth’s crust is a fundamental property that is important for a wide range of scientific and engineering applications. The orientation of maximum horizontal compressive stress can be estimated by inverting earthquake source mechanisms and measured directly from borehole-based measurements, but large regions of the continents have few or no observations. Here we present an approach to determine the orientation of maximum horizontal compressive stress by measuring stress-induced anisotropy of nonlinear susceptibility, which is the derivative of elastic modulus with respect to strain. Laboratory and Earth experiments show that nonlinear susceptibility is azimuthally dependent in an anisotropic stress field and is maximum in the orientation of maximum horizontal compressive stress. We observe this behavior in the Earth—in Oklahoma and New Mexico, U.S.A, where maximum nonlinear susceptibility coincides with the orientation of maximum horizontal compressive stress measured using traditional methods. Our measurements use empirical Green’s functions and solid-earth tides and can be applied at different temporal and spatial scales.

58 GEOSCIENCES↗