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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

On Residual Stresses and Reference Temperatures in Thermomechanical Simulations of Photovoltaic Modules Using the Finite Element Method

Thermomechanical simulation of photovoltaic (PV) modules using the finite element method (FEM) is a useful tool to evaluate module design features in terms of structural integrity, reliability, and durability. One of the main challenges in the numerical modeling of a PV module is the incorporation of residual stresses induced by the manufacturing process. Modeling assumptions and abstractions are necessary to limit the model complexity and reduce the computational time. However, oversimplifications and incorrect assumptions can lead to erroneous numerical results. Unfortunately, much simulation work still neglects process-induced stresses. This can lead to incorrect predictions of the stress-strain history and erroneous conclusions during the design process. In this work, we review current modeling practices for incorporating process-induced stresses, and contrast numerical models that consider residual stresses with those that neglect them. We find that the simulation objective and available material properties dictate which process steps need to be modeled, and explore in depth the modeling of residual stresses induced by the lamination process. We demonstrate that a simplified cooldown procedure at the beginning of the simulation can increase the model accuracy and discuss appropriate choices for starting and reference temperatures in the finite element model.

14 SOLAR ENERGY↗
DOE OSTI2020

Learning to Predict Crystal Plasticity at the Nanoscale: Deep Residual Networks and Size Effects in Uniaxial Compression Discrete Dislocation Simulations

The density and configurational changes of crystal dislocations during plastic deformation influence the mechanical properties of materials. These influences have become clearest in nanoscale experiments, in terms of strength, hardness and work hardening size effects in small volumes. The mechanical characterization of a model crystal may be cast as an inverse problem of deducing the defect population characteristics (density, correlations) in small volumes from the mechanical behavior. In this work, we demonstrate how a deep residual network can be used to deduce the dislocation characteristics of a sample of interest using only its surface strain profiles at small deformations, and then statistically predict the mechanical response of size-affected samples at larger deformations. As a testbed of our approach, we utilize high-throughput discrete dislocation simulations for systems of widths that range from nano- to micro- meters. We show that the proposed deep learning model significantly outperforms a traditional machine learning model, as well as accurately produces statistical predictions of the size effects in samples of various widths. By visualizing the filters in convolutional layers and saliency maps, we find that the proposed model is able to learn the significant features of sample strain profiles.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Validating the Use of Gaussian Process Regression for Adaptive Mapping of Residual Stress Fields

Probing the stress state using a high density of measurement points is time intensive and presents a limitation for what is experimentally feasible. Alternatively, individual strain fields used for determining stresses can be reconstructed from a subset of points using a Gaussian process regression (GPR). Results presented in this paper evidence that determining stresses from reconstructed strain fields is a viable approach for reducing the number of measurements needed to fully sample a component’s stress state. The approach was demonstrated by reconstructing the stress fields in wire-arc additively manufactured walls fabricated using either a mild steel or low-temperature transition feedstock. Effects of errors in individual GP reconstructed strain maps and how these errors propagate to the final stress maps were assessed. Implications of the initial sampling approach and how localized strains affect convergence are explored to give guidance on how best to implement a dynamic sampling experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Grf10 regulates the response to copper, iron, and phosphate in Candida albicans

Abstract The pathogenic yeast, Candida albicans, and other microbes must be able to handle drastic changes in nutrient availability within the human host. Copper, iron, and phosphate are essential micronutrients for microbes that are sequestered by the human host as nutritional immunity; yet high copper levels are employed by macrophages to induce toxic oxidative stress. Grf10 is a transcription factor important for regulating genes involved in morphogenesis (filamentation, chlamydospore formation) and metabolism (adenylate biosynthesis, 1-carbon metabolism). The grf10Δ mutant exhibited resistance to excess copper in a gene dosage-dependent manner but grew the same as the wild type in response to other metals (calcium, cobalt, iron, manganese, and zinc). Point mutations in the conserved residues D302 and E305, within a protein interaction region, conferred resistance to high copper and induced hyphal formation similar to strains with the null allele. The grf10Δ mutant misregulated genes involved with copper, iron, and phosphate uptake in YPD medium and mounted a normal transcriptional response to high copper. The mutant accumulated lower levels of magnesium and phosphorus, suggesting that copper resistance is linked to phosphate metabolism. Our results highlight new roles for Grf10 in copper and phosphate homeostasis in C. albicans and underscore the fundamental role of Grf10 in connecting these with cell survival.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Exploiting ultra-large linear elasticity over a wide temperature range in nanocrystalline NiTi alloy

Many shape memory alloys can support large recoverable strains of a few percent by reversible stress-induced martensite transformation, yet they behave non-linear within a narrow operating temperature range. Developing the bulk metallic materials with ultra-large linear elasticity over a wide temperature range has proven to be difficult. In this work, a material design concept was proposed, that is true elastic deformation and reversible twinning-detwinning deformation run in parallel to overcome this challenge. By engineering the residual internal stress to realize the concurrency of true elastic deformation and twinning-detwinning deformation, a bulk nanocrystalline NiTi that possesses an ultra-large linear elastic strain up to 5.1 % and a high yield stress of 2.16 GPa over a wide temperature range of 270 °C was developed. This study offers a new avenue for developing the metallic materials with ultra-large linear elasticity over a wide temperature range of 270 °C (from 70 °C to -197 °C).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crystal plasticity model of residual stress in additive manufacturing using the element elimination and reactivation method

Selective laser melting is receiving increasing interest as an additive manufacturing technique. Residual stresses induced by the large temperature gradients and inhomogeneous cooling process can favour the generation of cracks. In this work, a crystal plasticity finite element model is developed to simulate the formation of residual stresses and to understand the correlation between plastic deformation, grain orientation and residual stresses in the additive manufacturing process. The temperature profile and grain structure from thermal-fluid flow and grain growth simulations are implemented into the crystal plasticity model. An element elimination and reactivation method is proposed to model the melting and solidification and to reinitialize state variables, such as the plastic deformation, in the reactivated elements. The accuracy of this method is judged against previous method based on the stiffness degradation of liquid regions by comparing the plastic deformation as a function of time induced by thermal stresses. The method is used to investigate residual stresses parallel and perpendicular to the laser scan direction, and the correlation with the maximum Schmid factor of the grains along those directions. The magnitude of the residual stress can be predicted as a function of the depth, grain orientation and position with respect to the molten pool. The simulation results are directly comparable to X-ray diffraction experiments and stress–strain curves.

316 stainless steel↗
DOE OSTI2023

In situ high-temperature 3D imaging of the damage evolution in a SiC nuclear fuel cladding material

Silicon carbide (SiC)-based nuclear fission fuel rod cladding has been considered as one of the possible designs for accident tolerant fuels. It is in the form of a SiC fibre reinforced SiC matrix composite tube (SiC f -SiC m ) with monolithic SiC outer and/or inner coating layers. This study focuses on the deformation and fracture processes in this material using in situ X-ray micro-computed tomography (XCT) at room temperature (RT) and 1200 °C in an inert gas environment in a C-ring compression loading configuration. Prior to testing, local properties and residual stresses were characterised using nanoindentation and Raman spectroscopy since they can impact the mechanical behaviour of the material. The 3D strain distribution, crack formation and propagation processes including the toughening mechanisms (e.g., crack deflection, micro-cracking, crack bridging and bifurcation) are investigated in the coating and underlying composites at RT and 1200 °C. There is no particular sequence which toughening mechanism occurs first – this is very different from the conventional toughening theory in ceramic-matrix composites under uniaxial tension loading. Indeed, no evidence of fibre pull-out or fibre fracture was observed in this SiC f -SiC m nuclear cladding material in the current C-ring compression configuration. The correlation between local measurements and bulk mechanical behaviour are discussed.

3D imaging↗
DOE OSTI2022

Regulation of L - and D -Aspartate Transport and Metabolism in Acinetobacter baylyi ADP1

Here, the regulated uptake and consumption of d-amino acids by bacteria remain largely unexplored, despite the physiological importance of these compounds. Unlike other characterized bacteria, such as Escherichia coli, which utilizes only l-Asp, Acinetobacter baylyi ADP1 can consume both d-Asp and l-Asp as the sole carbon or nitrogen source. As described here, two LysR-type transcriptional regulators (LTTRs), DarR and AalR, control d- and l-Asp metabolism in strain ADP1. Heterologous expression of A. baylyi proteins enabled E. coli to use d-Asp as the carbon source when either of two transporters (AspT or AspY) and a racemase (RacD) were coexpressed. A third transporter, designated AspS, was also discovered to transport Asp in ADP1. DarR and/or AalR controlled the transcription of aspT, aspY, racD, and aspA (which encodes aspartate ammonia lyase). Conserved residues in the N-terminal DNA-binding domains of both regulators likely enable them to recognize the same DNA consensus sequence (ATGC-N7-GCAT) in several operator-promoter regions. In strains lacking AalR, suppressor mutations revealed a role for the ClpAP protease in Asp metabolism. In the absence of the ClpA component of this protease, DarR can compensate for the loss of AalR. ADP1 consumed l- and d-Asn and l-Glu, but not d-Glu, as the sole carbon or nitrogen source using interrelated pathways.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Parametric study of residual stress formation in Wire and Arc Additive Manufacturing

Here, a finite element model was created to simulate the Wire Arc Additive Manufacturing (WAAM) thermal and mechanical processes of Inconel 718 on a A36 steel substrate, as well as the effects of process parameters on Residual Stress (RS). The model was verified using temperature data obtained from three thermocouples attached to the upper surface of the build substrate and micro-strain measurements obtained from Neutron Diffraction (ND) measurement. The model was then used to study the effects of changing the torch travel speed and interlayer dwell time. The study found that travel speed has little effect on RS when maintaining the same heat input rate. As well, the interlayer dwell time has a strong effect on RS. Reducing the dwell time causes the stress profiles to become relatively uniform and a high-stress region extends deeper along the build direction. This study provides important insight into mechanical stresses inside large walls made by the WAAM method.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effects of rhodium doping on dislocation nucleation in a [001] SrNi 2 P 2 single crystal under spherical nanoindentation

Nanoindentation was performed on SrNi 2 P 2 single crystals and their dilute solid solutions, Sr(Ni 1–x Rh x ) 2 P 2 (x = 0 ~ 0.055), under [001] loading to investigate the effects of elemental doping on Young’s modulus and dislocation nucleation stress. The results show that Young’s modulus and the dislocation nucleation stress decrease as the Rh content increases, and their Rh content dependence also varies with the Rh content. Electron diffraction analysis and the anisotropic lattice distortion calculations revealed that a local structural transition from the orthorhombic superstructure to the tetragonal structure and local compressive residual stresses could be the main reasons for the decrease in Young’s modulus and dislocation nucleation stress, respectively. The overlap of stress–strain fields between Rh atoms and the associated local structural transition contribute to their Rh content dependence. Here, the results also indicate that elemental doping does not necessarily strengthen materials if the incipient plasticity is controlled by dislocation nucleation, unlike conventional solid solution strengthening.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Progressive collapse analysis of stiffened panel structure with consideration of actual welding distortion and residual stresses

To date, inclusion of welding distortion and residual stresses in determining the strength of marine structures is based on empirical formulations due to welding complexity. In this study, a more feasible numerical model was developed from the perspective of inherent strain theory. The accuracy of this simplified numerical model was confirmed by transient thermo-elastic–plastic finite element analysis using a novel dynamic mesh refining and iterative substructure method which is 50 times faster than conventional finite element method. Welding distortion by the two numerical approaches was validated with experimental measurement. The collapse analyses indicated that the inherent strain model predicted a compressive strength and load-displacement curve with high accuracy, as validated by the transient thermo-mechanical model. The global stiffness and the ultimate strength of the welded structure would be overestimated by about 22% if no welding effects were considered. The proposed computation procedure for determining the ultimate strength of welded structures is accurate, simple, and practical and enables improvement of ultimate strength through optimization of welding joint design to reduce the welding residual stress and distortion.

Huang, Hui↗
DOE OSTI2021

A Novel Mode of Photoprotection Mediated by a Cysteine Residue in the Chlorophyll Protein IsiA

Oxygenic photosynthetic organisms have evolved a multitude of mechanisms for protection against high-light stress. IsiA, a chlorophyll a-binding cyanobacterial protein, serves as an accessory antenna complex for photosystem I. Intriguingly, IsiA can also function as an independent pigment protein complex in the thylakoid membrane and facilitate the dissipation of excess energy, providing photoprotection. The molecular basis of the IsiA-mediated excitation quenching mechanism remains poorly understood. In this study, we demonstrate that IsiA uses a novel cysteine-mediated process to quench excitation energy. The single cysteine in IsiA in the cyanobacterium Synechocystis sp. strain PCC 6803 was converted to a valine. Ultrafast fluorescence spectroscopic analysis showed that this single change abolishes the excitation energy quenching ability of IsiA, thus providing direct evidence of the crucial role of this cysteine residue in energy dissipation from excited chlorophylls. Under stress conditions, the mutant cells exhibited enhanced light sensitivity, indicating that the cysteine-mediated quenching process is critically important for photoprotection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Origin of strain softening in a nanograined Al alloy

Here, one-step and multi-step nanoindentation experiments were conducted to investigate the mechanical response of an Al-Mg-Li alloy. Opposite to the strain hardening effect observed in the coarse-grained (CG) alloy, the nanograined (NG) alloy exhibits strain softening. Compared with multi-step nanoindentation experiments, the ultralow dislocation density and the grain boundary (GB) segregation promote a higher stress level during one-step nanoindentation experiments. Residual perfect dislocations induced by a previous loading and unloading during multi-step nanoindentation experiments lower the stress required for further plastic deformation. In addition, the storage of partial dislocations also serves to render plastic flow to commence at lower stresses. This work provides new insights for the fabrication and property optimization of NG alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Metabolic modulation: Pneumocystis phosphoglucomutase is a target influencing host recognition

Herein, this manuscript explores the significance of the phosphoglucomutase (PGM) enzyme in Pneumocystis spp., focusing on its role in fungal surface mannoprotein formation. Through expression of the Pneumocystis murina Pmpgm2 in a Saccharomyces cerevisiae pgm2Δ strain, we demonstrate restoration of binding to the mannose receptor (MR) and macrophages to wildtype yeast levels in this complemented strain. Gas Chromatography-Mass Spectroscopy (GC-MS) confirmed reduced mannose content in the pgm2Δ yeast strain compared to the wild-type and complemented Pmpgm2 cDNA-expressing strains. This study underscores fungal PGM function in dolichol glucosyl phosphate biosynthesis, crucial for proper cell wall mannoprotein formation. Furthermore, highlighting the conservation of targetable cysteine residues across fungal pathogens, PGM inhibition maybe a potential therapeutic strategy against a broad spectrum of fungal infections.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Unraveling the origin of air-stability in single-crystalline layered oxide positive electrode materials

Single-crystalline Ni-rich layered oxides present compelling advantages over conventional polycrystalline counterparts toward large-scale applications, including enhanced mechanical stability and higher energy density. Nevertheless, the deleterious effects of air exposure, which is inevitable in industrial processing, on their structure and electrochemical performance remain poorly understood. Herein, we reveal that air exposure is more detrimental to the electrochemical performance of single-crystalline layered oxide positive electrodes than polycrystalline counterparts. It is found that air-induced surface structural distortions are primarily responsible for the electrochemical performance decay of single-crystalline samples rather than the generally believed surface residual lithium. Leveraging multiscale diffraction and imaging techniques, we identify an undesirable structural transition to a metastable O1* phase, which introduces substantial lattice defects and localized strain concentrations within the layered structure. These adverse structural evolutions compromise structural integrity and promote crack initiation during electrochemical cycling, ultimately accelerating capacity fade. Our findings provide critical insights into the air-induced degradation mechanisms and emphasize the urgent need for developing effective stabilization strategies to facilitate the commercial implementation of single-crystalline Ni-rich positive electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A better understanding of the mechanics of borehole breakout utilizing a finite strain gradient-enhanced micropolar continuum model

Borehole breakout denotes the failure in rock mass subjected to drilling, caused by stress concentrations exceeding the material strength. Depending on the material properties, the preexisting in situ stress state, and the borehole dimensions, different types of borehole breakout, such as spiral-shaped breakout or v-shaped breakout, are distinguished in the literature. In the present work, we address the influence of the material properties on the predicted borehole breakout mode in a comprehensive finite element study. To this end, herein we employ a gradient-enhanced micropolar damage-plasticity model based on the Mohr–Coulomb strength criterion, formulated in the finite strain regime, which is calibrated based on experimental results from plane strain compression tests on Red Wildmoor sandstone. In the numerical study, the influence of the in situ stress state, the material friction angle, plastic dilation, post peak residual strength, and the inherent material length scale parameters are investigated. Thereby, we demonstrate that depending on the material parameters, substantially different failure modes, characterized by strongly localized shear bands or diffuse failure zones, are predicted. It is shown that in particular the brittleness of the material in the post peak regime has a major influence on the predicted breakout type. Moreover, a statistical validation of the results is obtained by considering different random field distributions of the initial material strength.

58 GEOSCIENCES↗
DOE OSTI2023

African Swine Fever Vaccine Candidate ASFV-G-ΔI177L Produced in the Swine Macrophage-Derived Cell Line IPKM Remains Genetically Stable and Protective against Homologous Virulent Challenge

ASFV vaccine candidate ASFV-G-ΔI177L has been shown to be highly efficacious in inducing protection against challenges with the parental virus, the Georgia 2010 isolate, as well as against field strains isolated from Vietnam. ASFV-G-ΔI177L has been shown to produce protection even when used at low doses (10 2 HAD 50 ) and shows no residual virulence even when administered at high doses (10 6 HAD 50 ) or evaluated for a relatively long period of time (6 months). ASFV-G-ΔI177L stocks can only be massively produced in primary cell macrophages. Alternatively, its modified version (ASFV-G-ΔI177L/ΔLVR) grows in a swine-derived cell line (PIPEC), acquiring significant genomic modifications. We present here the development of ASFV-G-ΔI177L stocks in a swine macrophage cell line, IPKM, and its protective efficacy when evaluated in domestic pigs. Successive passing of ASFV-G-ΔI177L in IPKM cells produces minimal genomic changes. Interestingly, a stock of ASFV-G-ΔI177L obtained after 10 passages (ASFV-G-ΔI177Lp10) in IPKM cells showed very small genomic changes when compared with the original virus stock. ASFV-G-ΔI177Lp10 conserves similar growth kinetics in primary swine macrophage cultures than the original parental virus ASFV-G-ΔI177L. Pigs infected with 10 3 HAD 50 of ASFV-G-ΔI177Lp10 developed a strong virus-specific antibody response and were completely protected against the challenge with the parental virulent field isolate Georgia 2010. Therefore, IPKM cells could be an effective alternative for the production of ASFV vaccine stocks for those vaccine candidates exclusively growing in swine macrophages.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Effects of particle inclusions on cracking in ultrathin barrier films

Here, the effects of particle inclusions with different mechanical properties on the development of cracks in ultra-thin barrier films have been studied. Two types of particles, alumina and poly(styrene-b-methyl methacrylate) with large differences in their elastic modulus were used, representing both hard and soft inclusions. Particles were seeded onto polyethylene naphthalate substrates and subsequently coated with atomic layer deposited Al 2 O 3 as a barrier film. Ca corrosion tests used to determine the performance of the barrier films revealed that soft polymer particle inclusions severely affect the development of cracking in barrier films as compared to stiff ceramic particles. Tensile tests also confirmed that the barrier films with polymer particle inclusions have the lowest value of critical onset strain. Parametric simulations, conducted by varying the elastic modulus of the particle inclusions over a wide range, resulted in a larger strain energy release rate near particle inclusions which promotes crack formation and negatively impacts the performance of barrier films with softer particle inclusions. Thus, the combination of high residual stresses in the barrier films with the presence of soft particle inclusions is found the most detrimental for the development of high-performance ultrathin barrier films.

36 MATERIALS SCIENCE↗