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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Plastic–Crystal Electrolyte Interphase for All‐Solid‐State Sodium Batteries

Abstract The development of all‐solid‐state rechargeable batteries is plagued by a large interfacial resistance between a solid cathode and a solid electrolyte that increases with each charge–discharge cycle. The introduction of a plastic–crystal electrolyte interphase between a solid electrolyte and solid cathode particles reduces the interfacial resistance, increases the cycle life, and allows a high rate performance. Comparison of solid‐state sodium cells with 1) solid electrolyte Na 3 Zr 2 (Si 2 PO 4 ) particles versus 2) plastic–crystal electrolyte in the cathode composites shows that the former suffers from a huge irreversible capacity loss on cycling whereas the latter exhibits a dramatically improved electrochemical performance with retention of capacity for over 100 cycles and cycling at 5 C rate. The application of a plastic–crystal electrolyte interphase between a solid electrolyte and a solid cathode may be extended to other all‐solid‐state battery cells.

Gao, Hongcai↗
DOE OSTI2021

New Technologies are Needed to Improve the Recycling and Upcycling of Waste Plastics

In their Editorial to the Special Issue on The Chemistry of Waste Plastics Upcycling, the Guest Editors Adam Guss, George Huber, Carol Lin, Xianzhi Meng, Hugh O'Neill, Arthur Ragauskas, Jia Wang, Yanqin Wang, and Frederik Wurm highlight some of the increasingly urgent efforts being made by chemists to address challenges related to the fate of plastics at the end of, their useful lives and the valorization of plastic waste.

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

Multiscale plasticity of geomaterials predicted via constrained optimization‐based granular micromechanics

Abstract A general framework to derive nonlinear elastic and elastoplastic material models from granular micromechanics is proposed, where a constraint‐based variational structure is introduced to classical grain contact‐based homogenization methods of hyperelasticity. Like the classical hyperelastic methods, reference solutions for closed‐form hyperelastic material models are analytically derived from the grain‐scale contact mechanics. However, unlike prior methods, the proposed homogenization framework defines closed‐form hyperelastoplastic material models that extend multiscale variational methods to granular plasticity. The proposed framework is used to develop novel granular micromechanics‐based macroscopic models for a Mises type solid, Drucker–Prager type plasticity, and grain‐contact cohesive‐debonding with a deviatorically and volumetrically coupled nonlinearly elastic response. Macroscopic plastic parameters and yield criteria are explicitly related to their microscale counterparts, for example, the friction coefficient governing intergranular slip. Numerical examples and comparison to measurements from the literature, including triaxial compaction of concrete, are provided to investigate model predictions and demonstrate calibration to experimental data.

Bryant, E. C.↗
DOE OSTI2025

Bulk nanocrystalline Al–Mg–Y alloys with amorphous grain boundary complexions display high strength and compressive plasticity

Although nanocrystalline alloys regularly exhibit high strengths, their use in structural applications often face challenges due to sample size limitations, unstable microstructures, and the limited ability to plastically deform. The incorporation of amorphous grain boundary complexions has been proposed to address these issues, by simultaneously stabilizing nanocrystalline grain structures for scale-up processing and improving alloy toughness. In the present study, the mechanical behavior of bulk nanocrystalline Al–Mg–Y is examined with macroscale compression testing, probing a length scale that is relevant to real-world structural applications. Bulk samples were fabricated via a simple powder metallurgy approach, with different hot-pressing temperatures and durations employed for consolidation in order to investigate microstructural and property evolution. All of the specimens contained primary face-centered cubic Al and secondary Al 4 C 3 and Al 3 Y phases, with the Al 3 Y particles exhibiting two populations of small equiaxed and larger elongated particles. Appreciable plasticity was measured along with high ultimate stresses over 800 MPa due to the presence of amorphous grain boundary complexions. Microstructural characterization of fracture surfaces revealed that the area fraction of dimpled regions increased with longer hot-pressing time. Most importantly, the elongated Al 3 Y particles formed regular cellular patterns with increasing hot-pressing time, delaying shear localization and significantly enhancing plasticity. The hierarchy present in the microstructure of the Al–Mg–Y alloy, from amorphous grain boundary complexions to secondary phases, gives rise to excellent bulk mechanical properties, which are attractive for structural applications.

Bulk nanocrystalline alloy↗
DOE OSTI2016

Onset of Plasticity via Relaxation Analysis (OPRA)

In crystalline metals and alloys, plasticity occurs due to the movement of mobile dislocations and the yield stress for engineering applications is traditionally quantified based on strain. The onset of irreversible plasticity or “yielding” is generally identified by a deviation from linearity in the stress-strain plot or by some standard convention such as 0.2 % offset strain relative to the “linear elastic response”. In the present work, we introduce a new methodology for the determination of the true yield point based on stress relaxation. We show experimentally that this determination is self-consistent in nature and, as such, provides an objective observation of the very onset of plastic flow. Lastly, our designation for yielding is no longer related to the shape of the stress-strain curve but instead reflects the earliest signature of the activation of concerted irreversible dislocation motion in a test specimen under increasing load.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Bounds on the Rate-Dependent Plastic Flow of Tantalum up to 75 GPa

In this study we report on the continued development of thermodynamics-based analysis of shock waves propagation with the objective of extracting information related to materials strength at high strain rates and pressures. Building on previous results reported for peak stresses of 10 GPa and 25 GPa, we present a series of three-step gas-gun shock experiments designed to explore the pressure and strain rate dependence of plastic flow in polycrystalline tantalum. These experiments at nominal peak stresses of 50 GPa and 75 GPa show the irreversible deformation before pullback to be almost entirely confined to the shock loading, with negligible plastic relaxation on the post-shock plateau. We also add a reverse-ballistics shot at 25 GPa, which was designed to reveal the pullback response with negligible interference from free-surface effects. General thermodynamic considerations allow us to place bounds on the plastic behavior even for parts of the curve that change far too rapidly for the velocimetric time resolution of (conservatively) ~ 5 ns. To analyze the data, we found it necessary to substantially improve the interpolation/extrapolation scheme in order to improve its robustness, flexibility and range of applicability. We describe the new scheme based on splines, as well as an extension of free-surface corrections to the post-shock rarefaction waves. Reanalysis with the new scheme produces results essentially within the error bars previously reported, showing that the known systematic errors associated with free-surface effects are relatively inconsequential for determining thermodynamic paths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The role of elastic and plastic anisotropy in intergranular spall failure

Recent mesoscale experimental observations of dynamic ductile failure have demonstrated a strong relationship between grain boundary (GB) misorientation and the likelihood of failure initiation along said GB. This correlation has been attributed to inherent GB weakness of particular misorientation. Here we discuss the role played by mechanics, i.e. elastic and plastic anisotropy, on the experimental observation. We make use of a recently developed framework for modeling dislocation-based crystal plasticity and ductile failure of single crystals under dynamic loading (CPD-FE). Polycrystals are studied at the mesoscale level through the explicit resolution of individual grains, i.e. resolving each individual grain's size, shape, and orientation. In our simulations, failure naturally localizes along the GBs with no necessity for ad hoc rules governing damage nucleation. We carry out a few thousand mesoscale calculations, systematically varying the misorientation angles of the GB in the computational microstructure. Despite the fact that we neglect the possibility of variations in inherent GB weakness, our simulations agree favorably with the experimental observations, implying that stress concentration generated by elastic and plastic anisotropies across GBs is a dominant governing factor in this phenomenon. Lastly, we find that misorientation angle is an insufficient GB descriptor to predict the likelihood of intergranular spall failure, which is better understood through the consideration of additional GB degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Prismatic-to-basal plastic slip transition in zirconium

Here, we model three-dimensional dislocation ensembles in Zr pillars using newly developed mobility laws for dislocations on prismatic and basal planes. The effects of the loading orientation and temperature on the micro-scale mechanical response of single crystals are systematically explored. Easy dislocation glide is observed on prismatic planes, while hard glide occurs on basal planes. By selection of sample temperature and loading orientation, we show that the transition from prismatic to basal glide of dislocation ensembles can be controlled. We also show that the presence of dislocation cross-slip strongly promotes prismatic glide as a result of prismatic/basal cross-slip energy asymmetry. Cross-slip does not alter the occurrence of plastic slip transition but only induces a shift towards higher temperatures. The preponderance of plastic slip on basal or prismatic planes is found to be mediated by a transitional dislocation, which is composed of glissile segments on parallel prismatic planes connected by glissile super-jogs on basal planes. These findings provide a mechanistic understanding of experiments and highlight the significance of transitional prismatic-basal dislocations on the macroscopic characteristics of plasticity in HCP crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Computational methods in solution-based plastics purification

Plastic waste can be recycled into resins with near-virgin properties by solution-based purification processes that selectively dissolve polymers, remove contaminants, or detach printing residues. Here, in this review, we examine computational methods for predicting the behavior governing solution-based plastic purification, motivated by the vast polymer–solvent–contaminant compositional space. We discuss thermodynamic and machine learning methods for predicting polymer–solvent and polymer–contaminant interaction and review physics-based molecular dynamics simulations that resolve molecular-scale phenomena within polymer matrices inaccessible to screening methods. We highlight how these methods have informed experimental design for dissolution-based recycling and solvent-based contaminant removal. Finally, we discuss the prospective role of agentic AI in integrating these computational tools with real-time sorting data to adapt purification conditions to the compositional variability of real post-consumer feedstocks. This review charts a path toward computationally guided solution-based purification workflows that can respond to the complexity inherent in plastic waste streams.

Altamimi, Ali [Univ. of Wisconsin, Madison, WI (Un↗
DOE OSTI2024

A crystal-plasticity-informed Gaussian Process Regression model to capture anisotropy in single crystal shape memory alloys

This work presents a machine learning (ML) framework that model the anisotropic actuation responses in a shape memory alloy. A Gaussian Process Regression (GPR) based ML model is trained on a set of different crystal orientations subjected to different actuation conditions. The training employed thermo-mechanical responses from a crystal-plasticity model that captures phase-transformation, stress-induced plasticity, and transformation-induced plasticity. Further, on training the GPR-ML model at fixed stress level for different orientations, it captured the thermo-mechanical responses accounting for the anisotropy, and predicted responses for new orientations with good accuracy. The GPR-ML model is able to capture the transformation temperature variations even when trained using multiple stress levels, and the transformation strain showed significant deviations. The developed GPR-ML model gave reasonable predictions for an unexplored sample set of orientations and loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Editorial overview: Unlocking the secrets of nongenetic plasticity, one cell at a time

Cellular noise, the non-genetic variability observed among isogenic cells, arises from factors such as growth conditions, aging, and stochastic gene expression, influencing cell stress-response, metabolism, morphology, and size. Here, such plasticity, while critical for adaptation, often goes unnoticed with traditional population-averaging biotechnologies that inevitably mask cell-specific variations and prompting the question, "What else might we be missing". However, recent breakthroughs in optical imaging, microfluidics, and omics, are beginning to uncover the complexity of cellular plasticity. This special is-sue highlights some of these breakthroughs, with key contributions including innovations in multimodal chemical imaging, label-free microscopy, spatial and temporal omics, and droplet-based microfluidics. Collectively, these cutting-edge tools provide unprecedent-ed insights into non-genetic cell-to-cell variability, enhancing our understanding of cellu-lar plasticity and its implications for health, energy, and ecology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Experimental verification of a crystal plasticity-based simulation framework for predicting microstructure and geometric shape changes: Application to bending and Taylor impact testing of Zr

This paper is concerned with experimental verification of a recently developed multi-scale simulation framework for plastic deformation of metallic materials from quasi-static to impact deformation conditions. The framework is a visco-plastic self-consistent (VPSC) polycrystalline model embedded in an implicit finite element method (FE-VPSC) to provide a microstructure-sensitive constitutive response at each material point. Each material point of the FEM model is a polycrystalline aggregate with crystallographic deformation mechanisms operating at the single crystal scale with their evolving activity based on a dislocation density-based hardening law and texture. Four beams and three cylinders machined in different orientations from a textured plate of high-purity zirconium are tested quasi-statically in 4-point bending and at speeds of 100 m/s, 170 m/s and 243 m/s during Taylor impact tests, respectively. The variation in dimensional changes resulting from different sample orientations in the plate with respect to loading directions is measured for each sample. Moreover, texture and twinning characterization is performed using electron backscattered diffraction (EBSD). The deformation processes and underlying evolution of microstructure are successfully simulated using the FE-VPSC framework. In doing so, the model parameters are optimized and validated across a broad range of strain rates and temperatures. Simulation results in terms of geometrical changes and microstructural evolution are compared with the experimental measurements. The model predicts anisotropic material flow resulting from the hard-to-deform crystallographic directions, the development of gradients in texture and twinning through the geometries, tension–compression asymmetry, as well as the extent of plasticity under impact.

42 ENGINEERING↗
DOE OSTI2018

Metal plasticity and ductile fracture modeling for cast aluminum alloy parts

Here in this study, plasticity and ductile fracture properties were characterized by performing various tension, shear, and compression tests. A series of 10 experiments were performed using notched round bars, flat-grooved plates, in-plane shear plates, and cylindrical bars. Two cast aluminum alloys used in automotive suspension systems were selected. Plasticity modelling was performed and the results were compared with experimental and corresponding simulation results; further, the relationships among the stress triaxiality, Lode angle parameter, and equivalent plastic strain at the onset of failure were determined to calibrate a ductile fracture model. Finally, the proposed ductile fracture model shows good agreement with experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Process control-enabled mitigation of microstructural and plastic heterogeneities in additively manufactured Grade 91 steel

Synergizing wire arc-directed energy deposition (WA-DED) additive manufacturing (AM) with particle-strengthened creep strength-enhanced ferritic (CSEF) steels enables fabrication and repair of critical power-plant components. Investigations focused on fusion-welded particle-strengthened CSEF steels, such as Grade 91 steel, have linked microstructurally heterogeneous regions—forming due to heat affected zones (HAZ)—with premature failure during elevated temperature service. Fusion-based AM, including WA-DED, likewise generates microstructurally and plastically heterogeneous regions due to spatiotemporally varying thermokinetics during deposition. However, works investigating such microstructural heterogeneities, their implications for mechanical behavior, and strategies to mitigate their formation remain scarce. This work identifies microstructurally and plastically heterogeneous regions within the WA-DED-processed Grade 91 steel. Spatial microhardness variations in the as-fabricated specimen correlate with the variation in the attributes of grain, martensitic microstructure, and precipitates across the fusion zone and HAZ. Digital image correlation-enabled tensile tests performed at 500 °C revealed pronounced deformation localization and a wave-like strain distribution, with wavelength close to the melt pool depth, indicating susceptibility of the as-fabricated components to premature creep failure. Such heterogeneity in microstructural and mechanical behavior was attributed to recurring solid-state phase transformations. Subsequently, an interlayer temperature control strategy was implemented, wherein maintaining interlayer temperature above the martensitic start temperature mitigated the heterogeneous microstructural and plastic response in the as-fabricated condition. Findings open pathways to achieving deformation-localization- and creep-resistant microstructures in WA-DED fabricated particle-strengthened CSEF steel components, reducing reliance on post-welding heat treatments—conventionally required to enhance creep resistance—and enabling on-demand, short lead-time fabrication of next-generation power-plant components.

Heat affected zones↗
DOE OSTI2022

Transformation and twinning induced plasticity in metastable Ti-Mo alloys under high strain rate deformation

The development of metastable titanium (Ti) alloys provides an unprecedented opportunity to expand their use in plasticity and damage critical applications like protective structures. However, such applications require knowledge of quasi-static to dynamic mechanical behavior, which is currently lacking. Here we perform in-situ, ultrafast synchrotron x-ray diffraction during high strain rate (Kolsky) pressure bar testing in tension and post-mortem electron microscopy to study TRansformation Induced Plasticity (TRIP) and TWinning Induced Plasticity (TWIP) in metastable Ti-Mo alloys. Two alloys, namely Ti-12Mo and Ti-15Mo (wt.%), were selected for study having different β -phase chemical stabilities. TWIP was observed in both Ti-12Mo and Ti-15Mo by in-situ synchrotron diffraction during high strain rate testing. Post-mortem microstructural characterization also revealed the presence of TRIP in Ti-12Mo. TWIP in Ti-15Mo was found to under-perform in terms of total elongation compared to TRIP/TWIP in Ti-12Mo. Ti-12Mo exhibited an average elongation of 17% compared to only 12% for Ti-15Mo with deformation at 1000 s -1 . In conclusion, TRIP resulted in significantly finer microstructure evolution and alleviated local strain accumulations in Ti-12Mo, suggesting TRIP can be used to tune available strength/ductility combinations in metastable Ti alloys under high strain rate deformation conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Root cause analysis and solutions for plastic gamma detector degradation in challenging environments—An overview

Polyvinyl toluene (PVT) plastic is often used to make gamma ray sensitive scintillators and is used in many important applications. For example, PVT is used to scan recycled steel going into a plant to be processed. It is also used in personnel portals to scan employees, and is used at the borders of many countries to scan cargo and cars passing through. In recent years, it was discovered that PVT can become degraded when it absorbs water and then is subjected to daily temperature swings, as is evidence by a reduction in scintillation light. Water absorption by PVT was notionally associated with temporary fogging (i.e., a rapid decrease in opacity which was reversible over time) and permanent fogging (i.e., permanent crack-like defects) and was for some time suspected to be the leading cause of the fogging due to circumstantial evidence. However, definitive proof was not established and in particular the specific mechanisms by which water entered the plastic and ultimately created temporary and permanent point-like defects was not fully understood. This paper is an overview of an effort initiated to reveal the fundamental root cause and also the dynamics of the fogging and degradation processes. This understanding is important not only to solve degradation problems for PVT in fielded systems, but also (1) to provide direction for future procurements for new equipment, and (2) to provide direction for future R&D efforts into advanced plastics with enhanced spectroscopic capabilities or dual particle gamma/neutron capabilities. Unexpected outcomes of this investigation included (1) the capability to predict the onset of fogging based on models using weather data alone, and (2) new modified formulations of PVT and PS which are fog-resistant. This paper provides an overview of the water uptake and associated mechanisms for various compositions, characterization of resulting temporary and permanent defects, predictive modeling of fogging, and possible solutions including encapsulation, heaters and new formulations. While this paper is an overview of the root cause analysis and solution, five accompanying papers (Lance et al., 2018, Myllenbeck and Feng, 2018, Payne et al., 2018, Zaitseva et al. 2018, Kouzes et al., 2018) from the same conference (SORMA 2018) delve further into the details and also expand upon the scope of what will be reported herein.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Environmental conditions leading to fogging in commercial poly(vinyltoluene) plastic scintillators

We report light scattering particles can appear in environmentally-exposed pieces of plastic scintillator materials, leading to decreased scintillation light output. In this work, 1” cubes of commercially-available plastic scintillators were aged hydrothermally at temperatures between 25–55 °C, and 0%–100% relative humidity (R.H.), and the mass uptake and degree of light scattering were measured after cooling below the aging temperature. A correlation was found between moisture mass uptake and degree of light scattering, and the fogging phenomenon was found to be reversible upon moisture desorption. Additionally, variable temperature light scattering studies revealed a correlation between the temperature of fog onset and moisture mass uptake in hydrothermally-aged 1” scintillator cubes. The fog onset data was further used in a local weather-based model to predict the appearance of light scattering in deployed radiation portal monitor panels, and the model was validated with several specimens collected from retired portal panels. Together, the results quantitatively characterize the observed environmental aging of plastic scintillator radiation portal panels, give insight to deployed panel lifetime as a function of environment, and pave the way for future developments in environmentally-stable radiation portal monitors.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nature of Moisture-Induced fogging defects in scintillator plastic

Polyvinyl toluene (PVT) scintillator plastic may degrade in the field due to inward water diffusion at elevated temperatures, which exceeds the saturation limit at lower temperatures, and after long periods of time (e.g., many years), leads to the formation of disk-like defects that attenuate scintillation light, leading to detector degradation. In this work, using fractography and high-magnification optical and electron microscopy to characterize the water-induced defects, a model of the fogging process is hypothesized as follows: excess water present at low temperatures diffuses to spheroids to minimize contact with the hydrophobic polymer. Through the hydrophobic effect, the entropy of water increases by forming nanoclusters which minimizes the contact between the water and the PVT. As the water nanoclusters grow, they break and fold the polymer into densely-packed crystalline regions creating more space for water within the spheroids. The polymer outside the spheroid resists the shrinkage which builds up tension within the spheroid. Once the tensile stress exceeds the yield strength of the plastic, the spheroid is torn in half resulting in a defect. Excess water then drains into the cavities along the disk thereby further increasing its entropy. Slower cooling (over 1 day) leads to larger spheroids and hence, larger “permanent” defects. Freezing causes some defects to further grow due to the expansion of water to ice. These findings imply that the remaining lifetime of scintillator plastic in the field could be predicted using temperature and humidity data thereby mitigating security risks of degraded radiation portal monitors.

36 MATERIALS SCIENCE↗