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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Plastic shrinkage of mortars with shrinkage reducing admixture and lightweight aggregates studied by neutron tomography

Water transport in fresh, highly permeable concrete and rapid water evaporation from the concrete surface during the first few hours after placement are the key parameters influencing plastic shrinkage cracking. In this work, neutron tomography was used to determine both the water loss from the concrete surface due to evaporation and the redistribution of fluid that occurs in fresh mortars exposed to external drying. In addition to the reference mortar with a water to cement ratio (w/c) of 0.30, a mortar with the addition of pre-wetted lightweight aggregates (LWA) and a mortar with a shrinkage reducing admixture (SRA) were tested. The addition of SRA reduced the evaporation rate from the mortar at the initial stages of drying and reduced the total water loss. The pre-wetted LWA released a large part of the absorbed water as a consequence of capillary pressure developing in the fresh mortar due to evaporation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of grain structure and strain rate on dynamic recrystallization and deformation behavior: A phase field-crystal plasticity model

Herein, a phase field (PF)-crystal plasticity (CP) model has been developed to study the effects of initial grain structures, recrystallized grain orientation, and strain rates on dynamic recrystallization and deformation behavior under stress states typical of the Shear Assisted Processing and Extrusion (ShAPE) process. The model takes the geometrically necessary dislocation density as the nucleation criterion for recrystallization and minimizes the deformation energy as the driving force of recrystallized grain growth. Using this model, the effects of grain orientations and strain rates on dynamic recrystallization and deformation behavior were simulated. The results demonstrate that (1) a polycrystalline structure with the texture observed in ShAPE process has the lowest yield stress under the ShAPE stress conditions, (2) the recrystallized grains with the texture observed in ShAPE process largely soften the materials, and (3) higher shear strain rate or rotation speed results in larger magnitude of material softening.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Predicting fracture behavior in single crystal nickel using a coupled crystal plasticity phase field damage approach

Understanding the fracture behavior of single crystal metals is critical for predicting material performance under mechanical loading. Here, in this study, we investigate the fracture characteristics of single crystal nickel tensile bars using a crystal plasticity coupled phase field damage (CP-PFD) model. Experimental tensile tests were conducted on 15 specimens spanning five crystallographic orientations and three thickness variants per orientation. The results revealed two distinct fracture modes: brittle fractures with 45-degree angled surfaces and ductile fractures characterized by significant necking. The CP-PFD model successfully replicated these fracture behaviors, demonstrating strong agreement with experimental observations. The model effectively predicted the strain at which necking and fracture occurred, as well as the orientation-dependent fracture mechanisms. By comparing experimental and simulated fracture surfaces, we establish the CP-PFD model as a robust tool for predicting single crystal behavior and damage evolution. This work provides insight into the microstructural dependence of fracture behavior and establishes a predictive framework for modeling orientation-dependent damage evolution in single-crystal nickel.

Crystal plasticity↗
DOE OSTI2025

Screening green solvents for multilayer plastic film recycling processes

Multilayer (ML) plastic films are essential packaging materials that help protect products from diverse external factors; however, only 5% of all ML films are recycled in the United States. Solvent-based technologies are a promising alternative for recycling ML films because they enable recovery of constituent polymer resins. For example, the Solvent Targeted Recovery and Precipitation (STRAPTM) process sequentially dissolves and separates polymer components using a series of targeted solvent washes. A crucial design aspect of this process is the impact of selected solvents on human health and on the environment. Here, this work introduces a computational framework that integrates molecular modeling, process modeling, techno-economic analysis (TEA), and life-cycle analysis (LCA) to quickly screen green solvents for solvent-based ML recycling processes. Initial screening for solvents based on selectivity is performed by estimating temperature-dependent solubilities using molecular-scale models. Subsequent screening uses basic estimates of energy use and octanol-water partition coefficients (logP) as key measures of health, safety, and environmental hazards. Detailed process modeling, TEA, and LCA are used on a reduced set of promising solvents identified in early screening steps to more accurately determine how solvent selection and associated operating conditions impact overall economics and environmental impacts. The framework is used for the identification of green solvents (from a database of 1,000 solvents) that separate an industrial ML film composed of polyethylene (PE), ethylene vinyl alcohol (EVOH), and polyethylene terephthalate (PET). Our analysis shows the effectiveness of the framework and reveals fundamental trade-offs between solvent greenness, solubility, and economics. Our work emphasizes the importance of taking a holistic systems view during solvent design and aims to inform the development of new processes for ML film recycling and the identification of new ML films that are easier to recycle.

economics↗
DOE OSTI2016

Corrigendum to “High-fidelity micro-scale modeling of the thermo-visco-plastic behavior of carbon fiber polymer matrix composites” [Compos Struct 134 (2015) 132–141]

The authors would like to inform that one of the modifications proposed in the article “High-fidelity micro-scale modeling of the thermo-visco-plastic behavior of carbon fiber polymer matrix composites” [1] was found to be unnecessary: the paraboloid yield criterion is sufficient to describe the shear behavior of the epoxy matrix considered (Epoxy 3501-6). The authors recently noted that the experimental work [2] used to validate the pure matrix response considered engineering shear strain instead of its tensorial counter-part, which caused the apparent inconsistency with the paraboloid yield criterion. A recently proposed temperature dependency law for glassy polymers is evaluated herein, thus better agreement with the experimental results for this epoxy is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A parallel and performance portable implementation of a full-field crystal plasticity model

We have developed a parallel implementation of an Elasto-Viscoplastic Fast Fourier Transform-based (EVPFFT) micromechanical solver to enable computationally efficient crystal plasticity modeling for polycrystalline materials. Our primary focus lies in achieving performance portability, allowing a single EVPFFT implementation to run optimally on various homogeneous architectures, including multi-core Central Processing Units (CPUs), as well as on heterogeneous computer architectures comprising multi-core CPUs and Graphics Processing Units (GPUs) from different vendors. To accomplish this goal, we have leveraged MATAR, a C++ software library that simplifies the creation and utilization of multidimensional dense or sparse matrix and array data structures. These data structures are designed to be portable across diverse architectures through the use of Kokkos, a performance-portable library. Additionally, we have employed the Message Passing Interface (MPI) to efficiently distribute the computational workload among processors. The heFFTe (Highly Efficient FFT for Exascale) library is used to facilitate the performance portability of the fast Fourier transforms (FFTs) computation. The computational performance of EVPFFT is evaluated and presented in terms of parallel scalability and simulation runtime on different high-performance computing (HPC) architectures. As a result, the utility of the developed framework to efficiently simulate the micro-mechanical fields in polycrystalline microstructures in engineering applications is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Catalytic fast co-pyrolysis of bamboo sawdust and waste plastics for enhanced aromatic hydrocarbons production using synthesized CeO 2 /γ-Al 2 O 3 and HZSM-5

Fast co-pyrolysis of bamboo sawdust and waste plastic (linear low-density polyethylene, LLDPE) over a dual catalytic stage of synthesized CeO 2 /γ-Al 2 O 3 and HZSM-5 was conducted to enhance aromatic hydrocarbons production. Experimental results indicated that the catalyst to biomass (C/B) mass ratio played a determining role in the formation of hydrocarbon intermediates and a C/B mass ratio of 4 facilitated the production of aromatic hydrocarbons. Dual catalytic fast co-pyrolysis of bamboo sawdust and LLDPE using synthesized CeO 2 /γ-Al 2 O 3 and HZSM-5 increased the concentration of aromatic hydrocarbons and a CeO 2 /γ-Al 2 O 3 to HZSM-5 mass ratio of 1:3 maximized the target products. The content of aromatic hydrocarbons was increased at first and then decreased as the LLDPE percentage was elevated from 20% to 100% during the dual catalytic fast co-pyrolysis process, with the highest concentration obtained at 75% LLDPE percentage. In addition, the additive effect of monocyclic aromatic hydrocarbons was enhanced with the increasing of LLDPE percentage in the feedstock blends, and higher LLDPE proportion favored the production of xylenes, ethylbenzene, and alkylbenzenes as the additive effects were significantly promoted.

09 BIOMASS FUELS↗
DOE OSTI2016

Urinary concentrations of cyclohexane-1,2-dicarboxylic acid monohydroxy isononyl ester, a metabolite of the non-phthalate plasticizer di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), and markers of ovarian response among women attending a fertility center

Di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), a non-phthalate plasticizer, was introduced commercially in 2002 as an alternative to ortho-phthalate esters because of its favorable toxicological profile. However, the potential health effects from DINCH exposure remain largely unknown. We explored the associations between urinary concentrations of metabolites of DINCH on markers of ovarian response among women undergoing in vitro fertilization (IVF) treatments. Between 2011 and 2015, 113 women enrolled a prospective cohort study at the Massachusetts General Hospital Fertility Center and provided up to two urine samples prior to oocyte retrieval. The urinary concentrations of two DINCH metabolites, cyclohexane-1,2-dicarboxylic acid monohydroxy isononyl ester (MHiNCH) and cyclohexane-1,2-dicarboxylic acid monocarboxyisooctyl ester (MCOCH), were quantified by isotope dilution tandem mass spectrometry. We used generalized linear mixed models to evaluate the association between urinary metabolite concentrations and markers of ovarian response, accounting for multiple IVF cycles per woman via random intercepts. On average, women with detectable urinary MHiNCH concentrations, as compared to those below LOD, had a lower estradiol levels (−325 pmol/l, p=0.09) and number of retrieved oocytes (−1.8, p=0.08), with a stronger association among older women. However, urinary MHiNCH concentrations were unrelated to mature oocyte yield and endometrial wall thickness. In conclusion, we found suggestive negative associations between urinary MHiNCH concentrations and peak estradiol levels and number of total oocyte yields. This is the first study evaluating the effect of DINCH exposure on human reproductive health and raises the need for further experimental and epidemiological studies to better understand the potential effects of this chemical on health. - Highlights: • Women with detectable urinary MHiNCH concentrations had a lower estradiol levels and number of retrieved oocytes. • The negative association between urinary MHiNCH concentrations and total oocyte yield was stronger in older women. • Urinary MHiNCH concentrations were unrelated to mature oocyte yield and endometrial wall thickness.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Modeling low cycle fatigue (LCF) of additively manufactured Hastelloy X using An accelerated crystal plasticity fatigue damage model

This paper presents a microstructure-based model for low cycle fatigue (LCF) behavior and life of Nickel-based alloy Hastelloy X manufactured using laser-powder bed fusion (L-PBF) additive manufacturing (AM). AM Hastelloy X, a solution-strengthened alloy, is tested at elevated temperature under fully reversed LCF conditions at different strain levels. A generalized plane strain finite element model is generated from electron backscatter diffraction (EBSD) characterization. The constitutive behavior of the material under fatigue is modeled using crystal plasticity and calibrated with both monotonic tensile and cyclic stress–strain data. The fatigue micro-crack initiation and propagation in the microstructure is modeled using a modified Chaboche fatigue damage model. An embedded boundary condition with a homogenous medium is used to apply the cyclic deformation and prevent numerically introduced over-constraints during fatigue simulation. A ‘cycle-jump’ method is used to accelerate the fatigue simulation and reduce the computational cost. The simulation results are compared to LCF experiments, showing satisfactory matches in cyclic stress behavior and number of cycles to macro-crack initiation for all applied strain ranges. In addition, the model illustrates the potential for quantifying microscale fatigue life impacting factors such as microstructure and surface roughness, which is needed to accurately quantify the reliability of AM components in service.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crushing behaviors of unidirectional carbon fiber reinforced plastic composites under dynamic bending and axial crushing loading

The dynamic crushing characteristics of unidirectional carbon fiber reinforced plastic composites under two loading types, dynamic three-point bending and axial crushing, are investigated by experiment and finite element simulation. Hat section samples with two different layup orientations are tested at various impact velocities to investigate its effects. The experiment results show that delamination plays a critical role in dynamic bending deformation. Different layup orientations lead to similar crushing bending behaviors, but remarkable variations in delamination pattern evolutions. In contrast, layup orientation exerts more significant effects on failure modes and energy absorption in axial crushing. A finite element model with multiple layers of thick shell element and cohesive element is established, and simulations are performed for both dynamic three-point bending and axial crushing. The model can capture the crushing behaviors in the two loading types reasonably well. The damage evolution and energy absorption through various mechanisms at different loading conditions are discussed.

42 ENGINEERING↗
DOE OSTI2015

Effect of realistic 3D microstructure in crystal plasticity finite element analysis of polycrystalline Ti-5Al-2.5Sn

The effect of constitutive parameters and microstructure on the kinematic and constitutive responses within grains in a crystal plasticity finite element (CPFE) simulation of a polycrystalline titanium alloy are compared with experimental results. Finally, the simulation of a Ti- 5Al-2.5 Sn sample deformed in uniaxial tension at room temperature used a phenomenological power-law based CPFE model, which includes four families of slip systems commonly observed in structural metals with a hexagonal lattice structure.

36 MATERIALS SCIENCE↗
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

Modeling inter- and intra-granular dislocation transport using crystal plasticity

Here, this work presents the development of a crystal plasticity material model that incorporates both dislocation transport within grains and dislocation transfer across grain boundaries. This model has been implemented in the open-source finite element code MOOSE. In addition, a novel geometry-based criterion is developed to determine the direction of dislocation transfer across grain boundaries. The transfer criterion incorporates the geometric features of the grain boundary, such as the grain boundary plane normal, and its misorientation, which is accounted for through the orientation of the incoming and outgoing slip systems. The model is tested with several cases, including a copper single crystal, bi-crystal, and polycrystal. The development of the transfer criterion, implementation of the model, and its application to these test cases are discussed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. In addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the implementation of dislocation reactions in continuum dislocation dynamics modeling of mesoscale plasticity

The continuum dislocation dynamics framework for mesoscale plasticity is intended to capture the dislocation density evolution and the deformation of crystals when subjected to mechanical loading. It does so by solving a set of transport equations for dislocations concurrently with crystal mechanics equations, with the latter being cast in the form of an eigenstrain problem. Incorporating dislocation reactions in the dislocation transport equations is essential for making such continuum dislocation dynamics predictive. A formulation is proposed to incorporate dislocation reactions in the transport equations of the vector density-based continuum dislocation dynamics. This formulation aims to rigorously enforce dislocation line continuity using the concept of virtual dislocations that close all dislocation loops involved in cross slip, annihilation, and glissile and sessile junction reactions. The addition of virtual dislocations enables us to accurately enforce the divergence free condition upon the numerical solution of the dislocation transport equations for all slip systems individually. A set of tests were performed to illustrate the accuracy of the formulation and the solution of the transport equations within the vector density-based continuum dislocation dynamics. Comparing the results from these tests with an earlier approach in which the divergence free constraint was enforced on the total dislocation density tensor or the sum of two densities when only cross slip is considered shows that the new approach yields highly accurate results. Bulk simulations were performed for a face centered cubic crystal based on the new formulation and the results were compared with discrete dislocation dynamics predictions of the same. The microstructural features obtained from continuum dislocation dynamics were also analyzed with reference to relevant experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2012

In-situ characterization of transformation plasticity during an isothermal austenite-to-bainite phase transformation

This paper elucidates the stress-induced variant selection process during the isothermal austenite-to-bainite phase transformation in a tool steel. Specifically, a thorough set of experiments combining electron backscatter diffraction and in-situ digital image correlation (DIC) was carried out to establish the role of superimposed stress level on the evolution of transformation plasticity (TP) strains. The important finding is that TP increases concomitant with the superimposed stress level, and strain localization accompanies phase transformation at all stress levels considered. Furthermore, TP strain distribution within the whole material becomes more homogeneous with increasing stress, such that fewer bainitic variants are selected to grow under higher stresses, yielding a more homogeneous strain distribution. In particular, the bainitic variants oriented along [101] and [201] directions are favored to grow parallel to the loading axis and are associated with large TP strains. Overall, this very first in-situ DIC investigation of the austenite-to-bainite phase transformation in steels evidences the clear relationship between the superimposed stress level, variant selection, and evolution of TP strains. - Highlights: Black-Right-Pointing-Pointer Local variations of strain were observed by DIC throughout the phase transformation. Black-Right-Pointing-Pointer The study clearly established the role of the stress-induced variant selection. Black-Right-Pointing-Pointer Variant selection is a key parameter that governs distortion.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Quantitative investigation of the tensile plastic deformation characteristic and microstructure for friction stir welded 2024 aluminum alloy

The effect of the microstructure heterogeneity on the tensile plastic deformation characteristic of friction stir welded (FSW) 2024 aluminum alloy was investigated for the potential applications on light weight design of vehicles. The microstructure characteristics of the FSW joints, such as the grain structure, dislocation density and the distribution of precipitation, were studied by electron backscattered diffraction (EBSD) and transmission electron microscopy (TEM). The tensile deformation characteristic of the FSW joints was examined using the automatic strain measuring system (ASAME) by mapping the global and local strain distribution, and then was analyzed by mechanics calculation. It is found that the tensile deformation of the FSW joints is highly heterogeneous leading to a significant decrease in global ductility. The FSW joints mainly contain two typical deformation zones, which show great effect on the regional inhomogeneous deformation. One is the nugget zone (NZ) with a region of 8 mm in width, and the other is part of the BM with a region of 10 mm in width. The BM of the joints is the weakest region where the strain localizes early and this localization extends until fracture with a strain over 30%, while the strain in the NZ is only 4%. Differences in regional strain of FSW joints, which are essentially controlled by grain structure, the distribution of precipitation and dislocation density, result in decrease on the overall mechanical properties. - Highlights: Black-Right-Pointing-Pointer Microstructure heterogeneity of welds on tensile deformation behavior is studied. Black-Right-Pointing-Pointer The welds contain two typical deformation zones, affecting the global ductility. Black-Right-Pointing-Pointer Regional strain of welds is controlled by grain structure and dislocation density. Black-Right-Pointing-Pointer Theoretical calculation is in good agreement with experimental result.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Characterization of twin boundaries in an Fe–17.5Mn–0.56C twinning induced plasticity steel

A twinning-induced plasticity steel of composition Fe–17.5 wt.% Mn–0.56 wt.% C–1.39 wt.% Al–0.24 wt.% Si was analyzed for the purpose of characterizing the relationship between tensile strain and deformation twinning. Tensile samples achieved a maximum of 0.46 true strain at failure, and a maximum ultimate tensile strength of 1599 MPa. Electron backscatter diffraction (EBSD) analysis showed that the grain orientation rotated heavily to < 111 > parallel to the tensile axis above 0.3 true strain. Sigma 3 misorientations, as identified by EBSD orientation measurements, and using the image quality maps were used to quantify the number of twins present in the scanned areas of the samples. The image quality method yielded a distinct positive correlation between the twin area density and deformation, but the orientation measurements were unreliable in quantifying twin density in these structures. Quantitative analysis of the twin fraction is limited from orientation information because of the poor spatial resolution of EBSD in relation to the twin thickness. The EBSD orientation maps created for a thin foil sample showed some improvement in the resolution of the twins, but not enough to be significant. Measurements of the twins in the transmission electron microscopy micrographs yielded an average thickness of 23 nm, which is near the resolution capabilities of EBSD on this material for the instrumentation used. Electron channeling contrast imaging performed on one bulk tensile specimen of 0.34 true strain, using a method of controlled diffraction, yielded several images of twinning, dislocation structures and strain fields. A twin thickness of 66 nm was measured by the same method used for the transmission electron microscopy measurement. It is apparent that the results obtain by electron channeling contrast imaging were better than those by EBSD but did not capture all information on the twin boundaries such as was observed by transmission electron microscopy. - Highlights: • Performed tensile tests to assess mechanical performance of TWIP alloy • Analyzed tensile specimens using EBSD, TEM, and ECCI • EBSD showed that most twinning occurred at or near the < 111 >//TA orientation. • EBSD, TEM and ECCI were used to measure average twin density. • Compared spatial resolution of EBSD, ECCI and TEM for the instrumentation used.

36 MATERIALS SCIENCE↗