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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Microstructure-sensitive small fatigue crack growth assessment. Effect of strain ratio multiaxial strain state and geometric discontinuities

Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. Our paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loading conditions. Moreover, the scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. Our work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A hereditary integral, transient network approach to modeling permanent set and viscoelastic response in polymers

An efficient numerical framework is presented for modeling viscoelasticity and permanent set of polymers. It is based on the hereditary integral form of transient network theory, in which polymer chains belong to distinct networks each with different natural equilibrium states. Chains continually detach from previously formed networks and reattach to new networks in a state of zero stress. The free energy of these networks is given in terms of the deformation gradient relative to the configuration at which the network was born . A decomposition of the kernel for various free energies allows for a recurrence relationship to be established, bypassing the need to integrate over all time history. The technique is established for both highly compressible and nearly incompressible materials through the use of neo-Hookean, Blatz–Ko, Yeoh, and Ogden-Hill material models. Multiple examples are presented showing the ability to handle rate-dependent response and residual strains under complex loading histories.

Finite element method↗
DOE OSTI2016

Investigation of deformation twinning under complex stress states in a rolled magnesium alloy

We employed a specially designed semi-circular notch specimen in the current study to generate the various strain conditions, including uniaxial, biaxial, shear, and plane strains, which was utilized to explore the evolution of different deformation twinning systems under complex loading conditions. We found that when using in situ synchrotron X-ray diffraction mapping method, that the extensive double twins were activated during loading, while nearly no extension twinning activity was detected. After the formation of {10.1} and {10.3} compression twins, they transformed into {10.1}-{10.2} and {10.3}-{10.2} double twins instantaneously at the early stage of deformation. The lattice strain evolutions in different hkls were mapped at selected load levels during the loading-unloading sequence. Finally, the relationship between the macroscopic straining and microscopic response was established.

36 MATERIALS SCIENCE↗
DOE OSTI2025

scRNA seq of an F1 cross of Marek’s disease resistant and susceptible chickens identifies allele specific expression signatures enriched in transcription modulators

Abstract Marek’s disease (MD), a T cell lymphoma disease in chickens, is caused by the Marek’s disease virus (MDV) found ubiquitously in the poultry industry. Genetically resistant Line 6 3 (L6) and susceptible Line 7 2 (L7) chickens have been instrumental to research on avian immune system response to MDV infection. In this study we characterized molecular signatures unique to splenic immune cell types across different genetic backgrounds 6 days after infection. Using three populations, L6, L7, and an F1 cross between L6xL7, we evaluated the immune cell transcriptome of responding cell types using single cell RNA sequencing. Several MDV genes were found expressed mainly in cytotoxic T cells while ICP4 and MEQ MDV genes were expressed across infected cell types. Using the F1 we quantified allele specific expression (ASE) of biallelic SNPs and found biased expression of parental alleles specific to immune cell subtypes. We identified 22 SNPs with ASE in response to MDV infection mapped to gene rich regions surrounding 59 genes of critical importance for chromatin remodeling and transcriptional regulation. Histone deacetylase genes (HDAC1 and HDAC8) had increased expression of L6 alleles, while small nuclear RNA genes (SNORA68 and SNORA72) expressed higher levels of L7 alleles with infection in T cell subsets. SNPs with ASE also mapped genes important for an adequate immune response including GNLY (cytotoxic activity) and PDIA3 (component of MHC class I peptide loading complex), and genes known to promote viral replication (MCM5 and EIF3M). These results show that functional variants associated with susceptibility to MD may have a bigger impact in subsets of immune cell types, and by characterizing the transcriptomes of these subtypes we can unravel molecular signatures specific to MD genomic resistance.

Science & Technology - Other Topics↗
DOE OSTI2015

Stress measurement in thick plates using nonlinear ultrasonics

In this paper the interaction between nonlinear ultrasonic characteristics and stress state of complex loaded thick steel plates using fundamental theory of nonlinear ultrasonics is investigated in order to measure the stress state at a given cross section. The measurement concept is based on phased array placement of ultrasonic transmitter-receiver to scan three angles of a given cross section using Rayleigh waves. The change in the ultrasonic data in thick steel plates is influenced by normal and shear stresses; therefore, three measurements are needed to solve the equations simultaneously. Different thickness plates are studied in order to understand the interaction of Rayleigh wave penetration depth and shear stress. The purpose is that as the thickness becomes smaller, the shear stress becomes negligible at the angled measurement. For thicker cross section, shear stress becomes influential if the depth of penetration of Rayleigh wave is greater than the half of the thickness. The influences of plate thickness and ultrasonic frequency on the identification of stress tensor are numerically studied in 3D structural geometry and Murnaghan material model. The experimental component of this study includes uniaxial loading of the plate while measuring ultrasonic wave at three directions (perpendicular, parallel and angled to the loading direction). Instead of rotating transmitter-receiver pair for each test, a device capable of measuring the three angles is designed.

42 ENGINEERING↗
DOE OSTI2016

Crystal structure of the cohesin loader Scc2 and insight into cohesinopathy

The ring-shaped cohesin complex topologically entraps chromosomes and regulates chromosome segregation, transcription, and DNA repair. The cohesin core consists of the structural maintenance of chromosomes 1 and 3 (Smc1–Smc3) heterodimeric ATPase, the kleisin subunit sister chromatid cohesion 1 (Scc1) that links the two ATPase heads, and the Scc1-bound adaptor protein Scc3. The sister chromatid cohesion 2 and 4 (Scc2–Scc4) complex loads cohesin onto chromosomes. Mutations of cohesin and its regulators, including Scc2, cause human developmental diseases termed cohesinopathy. Here, we report the crystal structure of Chaetomium thermophilum (Ct) Scc2 and examine its interaction with cohesin. Similar to Scc3 and another Scc1-interacting cohesin regulator, precocious dissociation of sisters 5 (Pds5), Scc2 consists mostly of helical repeats that fold into a hook-shaped structure. Scc2 binds to Scc1 through an N-terminal region of Scc1 that overlaps with its Pds5-binding region. Many cohesinopathy mutations target conserved residues in Scc2 and diminish Ct Scc2 binding to Ct Scc1. Pds5 binding to Scc1 weakens the Scc2–Scc1 interaction. Our study defines a functionally important interaction between the kleisin subunit of cohesin and the hook of Scc2. Through competing with Scc2 for Scc1 binding, Pds5 might contribute to the release of Scc2 from loaded cohesin, freeing Scc2 for additional rounds of loading.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Operando measurement of lattice strain in internal combustion engine components by neutron diffraction

Significance Internal combustion engine components experience extreme thermomechanical cycling during operation, and the continuing need to improve engine efficiency while maintaining or improving reliability drives the development of lightweight materials with improved thermal and mechanical integrity. Understanding the behavior of new materials in dynamic operation requires operando characterization tools, but conventional in situ measurements of material behavior during real engine operation are very limited, and no practical means exist to replicate such extreme dynamics for ex situ study. In this work, we demonstrate that the penetrating power of neutrons can provide noninvasive measurement of lattice strains inside components of a firing engine, enabling the operando study of complex load states and thermal gradients throughout the solid materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Modeling Interface Debonding in Coated Fuel Particles with BISON

Here we introduce a meshed debonding model intended for use with tristructural isotropic (TRISO) fuel particles. The ability to better examine the potential effects of interface debonding between the coating layers will enable a host of investigations of the stress state when complex loading and interactions between coated fuel particles are taking place. In this work, the debonding model is discussed in detail. Then, simulations are presented to show the capabilities and limitations of the model. First, a traditional high-temperature gas reactor TRISO particle is considered. Then, a TRISO particle in a graphitic matrix is analyzed, followed by a TRISO particle in a silicon carbide matrix.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

(U) Influence of Compaction Model Form on Planar and Cylindrical Compaction Geometries

The dynamic compaction response of CeO 2 is examined within the frameworks of the Ramp and P-a compaction models. Hydrocode calculations simulating the dynamic response of CeO 2 at several distinct pressures within the compaction region are investigated in both planar and cylindrically convergent geometries. Findings suggest additional validation of the compaction models is warranted under complex loading configurations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Exemplar for simulation challenges: Large-deformation micromechanics of Sylgard 184/glass microballoon syntactic foams.

Sylgard® 184/Glass Microballoon (GMB) potting material is currently used in many NW systems. Analysts need a macroscale constitutive model that can predict material behavior under complex loading and damage evolution. To address this need, ongoing modeling and experimental efforts have focused on study of damage evolution in these materials. Micromechanical finite element simulations that resolve individual GMB and matrix components promote discovery and better understanding of the material behavior. With these simulations, we can study the role of the GMB volume fraction, time-dependent damage, behavior under confined vs. unconfined compression, and the effects of partial damage. These simulations are challenging and push the boundaries of capability even with the high performance computing tools available at Sandia. We summarize the major challenges and the current state of this modeling effort, as an exemplar of micromechanical modeling needs that can motivate advances in future computing efforts.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An assessment of Callahan's crushed salt constitutive model

This memorandum investigates the Callahan crushed salt constitutive model developed and used at Sandia National Laboratories for geomechanics applications. The formulation is reviewed, calibration against a novel long-term experiment with complex loading history is performed and validation against other experiments is attempted. Areas of improvement and deficiencies are identified that support the need for an alternative or updated constitutive model for crushed salt.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Spread Spectrum Time Domain Reflectometry (SSTDR) Digital Twin Simulation of Photovoltaic Systems for Fault Detection and Location

Utilizing spread spectrum time domain reflectometry (SSTDR) to detect, locate, and characterize faults in photovoltaic (PV) systems is examined in this paper. We present a method to obtain the model parameters that are needed to produce digital twin SSTDR responses for PV systems. The digital twin SSTDR responses could be used to predict faults within the PV systems. Here, the model parameters are the reflection and transmission coefficients at each impedance discontinuity in the PV system along with the propagation coefficients across each PV cable segment. We obtain model parameter by applying inverse modeling techniques to experimental SSTDR data associated with PV systems. Our model parameters can be used in any digital twin simulation method for modeling reflectometry in frequency-dependent and complex loads. For validation, we used the model parameters in a graph network simulation engine and adapted it to be used for SSTDR digital twin simulations in PV systems. We produced simulations for 0 to 10 PV modules connected in series. We also simulated SSTDR responses for open circuit disconnections in a PV setup containing 10 PV modules in series. Results show that all but one simulated disconnect locations match experimental disconnection locations of the same setup with an error of less than 5%.

14 SOLAR ENERGY↗
DOE OSTI2026

A Fast, Accurate Prediction for System-Wide Damage Due to Dynamic Wind Loading

The complex relationship between photovoltaic (PV) hardware configurations, overall system dynamics, and turbulent aerodynamic phenomena generates highly unsteady, non-uniform loads that can lead to damaging instabilities. These effects may result in glass breakage, cell cracking, and structural failures in frames and mounting systems, even under moderate wind conditions. Addressing industry concerns about premature system failures in field conditions deemed survivable, our research aims to develop a fast and accurate predictive model for system damage. This model integrates configurable hardware choices with advanced simulation tools to represent the overall system-specific dynamics effectively. Using this model, we predict responses under varying weather conditions and hardware setups, translating these predictions into pre-trained surrogate models capable of accurately identifying failure risks and rapidly testing new system hardening measures. In this presentation, we will showcase preliminary results in capturing system dynamics through our customizable library of PV hardware configurations. Additionally, we will highlight how these new tools build upon PVade's established wind load modeling capabilities and foster the development of advanced AI/ML surrogates for improving system robustness.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Transient local secondary structure in the intrinsically disordered C‐term of the Albino3 insertase

Albino3 (Alb3) is an integral membrane protein fundamental to the targeting and insertion of light‐harvesting complex (LHC) proteins into the thylakoid membrane. Alb3 contains a stroma‐exposed C‐terminus (Alb3‐Cterm) that is responsible for binding the LHC‐loaded transit complex before LHC membrane insertion. Alb3‐Cterm has been reported to be intrinsically disordered, but precise mechanistic details underlying how it recognizes and binds to the transit complex are lacking, and the functional roles of its four different motifs have been debated. Using a novel combination of experimental and computational techniques such as single‐molecule fluorescence resonance energy transfer, circular dichroism with deconvolution analysis, site‐directed mutagenesis, trypsin digestion assays, and all‐atom molecular dynamics simulations in conjunction with enhanced sampling techniques, we show that Alb3‐Cterm contains transient secondary structure in motifs I and II. The excellent agreement between the experimental and computational data provides a quantitatively consistent picture and allows us to identify a heterogeneous structural ensemble that highlights the local and transient nature of the secondary structure. This structural ensemble was used to predict both the inter‐residue distance distributions of single molecules and the apparent unfolding free energy of the transient secondary structure, which were both in excellent agreement with those determined experimentally. We hypothesize that this transient local secondary structure may play an important role in the recognition of Alb3‐Cterm for the LHC‐loaded transit complex, and these results should provide a framework to better understand protein targeting by the Alb3‐Oxa1‐YidC family of insertases.

Okoto, Patience S.↗
DOE OSTI2022

Forming Complex Nuclear Fuel Shapes in High-Loaded Silicide Surrogates

This work provides proof of the concept that high silicide loading nuclear fuel meat surrogates with complicated geometries can be produced with uniform density through an application of cold isostatic pressing (CIP). Dispersion fuels with high volumetric loading of U_3 Si_2 have challenges in fabrication. Fabrication involves a series of processes including powder compaction, rolling pack assembly, and roll forming. PNNL has undertaken extensive experimental work using MoSi2 and WSi2 as surrogates for U3Si2 to explore the feasibility of reducing or eliminating the issues through the application of CIP in the powder pressing step prior to rolling pack assembly. The composites were prepared at >40 vol% silicide loading, which was representative of 4.8 gU/cm^3 and formed via CIP at 50 KSI (Kilopound per Square Inch) pressure. The CIP mold design was taken through a design process which aimed to reduce defects and increase precision. The application of CIP here provides a broad strategy for producing highly loaded dispersion fuels with complex geometries and uniform density.

Clelland, Dustin T.↗