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DOE OSTI2020

Fifth-degree elastic energy for predictive continuum stress-strain relations and elastic instabilities under large strain and complex loading in silicon

Materials under complex loading develop large strains and often phase transformation via an elastic instability, as observed in both simple and complex systems. Here, we represent a material (exemplified for Si I) under large Lagrangian strains within a continuum description by a 5th-order elastic energy found by minimizing error relative to density functional theory (DFT) results. The Cauchy stress—Lagrangian strain curves for arbitrary complex loadings are in excellent correspondence with DFT results, including the elastic instability driving the Si I → II phase transformation (PT) and the shear instabilities. PT conditions for Si I → II under action of cubic axial stresses are linear in Cauchy stresses in agreement with DFT predictions. Such continuum elastic energy permits study of elastic instabilities and orientational dependence leading to different PTs, slip, twinning, or fracture, providing a fundamental basis for continuum physics simulations of crystal behavior under extreme loading.

Levitas, Valery↗

DOE OSTI2020

Role of Material Condition in Precursor Corrosion Damage and Stress Corrosion Crack Initiation Behavior of Alloy 600 in PWR Primary Water

Stress corrosion crack (SCC) initiation testing has been performed on a 15% cold-worked UNS N06600 (Alloy 600) heat in the mill-annealed (MA), solution annealed (SA), and thermally treated (TT) conditions to assess the role of grain boundary (GB) carbides on stress-assisted intergranular attack (IGA) and short crack nucleation and growth. The SCC initiation tests were conducted at constant load equivalent to materials yield stress in 360oC simulated PWR primary water with dissolved hydrogen at the Ni/NiO stability line. Results revealed the highest SCC initiation susceptibility in the Alloy 600 MA material followed by the TT and SA materials, suggesting the GB carbide distribution did not have a controlling effect on SCC initiation resistance. Quantitative assessments were conducted on IGA and short cracks to help understand this phenomenon and the role of GB carbides on precursor damage development that lead to differences in macroscopic SCC initiation behavior are discussed.

Zhai, Ziqing↗

DOE OSTI2021

Assessment of Overmatched Filler (Alloy 617) to Improve Alloy 800H Stress Rupture Factors

Section III, Division 5 of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC) specifies rules for elevated temperature nuclear reactors. Currently, only six metals are qualified in Section III, Division for construction of Class A metallic pressure boundary components for elevated-temperature service, one of these being Alloy 800H. There are only two permissible filler metals Alloy 800H is qualified to be welded with: Alloy A and Alloy 82. The stress rupture factors for these two filler metals are low near the maximum temperatures and service lives Alloy 800H is qualified for. This may preclude vendors from being able to use Alloy 800H for elevated-temperature nuclear construction. In this work, an overmatched filler metal, Alloy 617 is assessed to determine its potential to offer improved stress rupture factors. Scoping creep-rupture tests of cross-welds with Alloy 800H base metal and Alloy 617 filler metal were conducted. Preliminary results do not indicate that Alloy 617 will offer significantly improved stress rupture factors. Consequently, a matching filler metal, UTP A 2133, is now being investigated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Electrochemical detection of microbial stress

The present invention is directed to a method of detecting microbial stress. The method comprises the following: providing an electrochemical device having at least one reference electrode and one working electrode wherein the electrochemical device also contains a fermenting microbe, setting an electrochemical potential, providing a source of electrical energy electrically connected to the at least one working electrode, detecting a transfer of electrons from the working electrode to the fermenting microbe, wherein the detection is an indication of microbial stress, and providing a remedial action in response to the indication of microbial stress.

Turick, Charles E.↗

DOE OSTI2024

Nitrogen Vacancy Centers in Diamond for Stress Sensing Applications: Theory and Experiments

Sensing of stress under high elevated environmental conditions with high resolution has critical importance for range of applications including earth’s subsurface scanning and geological CO2 storage monitoring. Using first principles density functional theory (DFT) approach combined with the theoretical modelling of low energy Hamiltonian, here we investigate a novel approach to detect unprecedented level of pressure by taking advantage of solid-state electron’s spin of Nitrogen vacancy (NV) centers in nanodiamond. We computationally explore the effect of strain on the defect band edges and band gaps by varying the lattice parameters of diamond supercell hosting a single NV center. A low energy Hamiltonian is developed that includes effect of stress on the energy level of ±1 spin manifold at the ground state. By quantifying the energy level shift and split, we predict the pressure sensing of up to 0.3 MPa/√Hz. We show superiority of the quantum sensing over traditional optical sensing techniques by discussing our results from DFT and theoretical modelling for the frequency shift per unit pressure. The proposed quantum stress sensing could be useful to measure earth’s subsurface vibrations. Our results open avenues for development of sensing technology with a high sensitivity and resolution under extreme pressure conditions that potentially has a wider applicability than existing pressure sensing technologies.

Paudel, Hari P.↗

DOE OSTI2026

Pixel-Registered Multimodal Synchrotron XRF and FTIR Microscopies Reveal Salinity Stress Response Mechanisms in Pistachio

Background: Salinity is a major abiotic stress that negatively affects nearly all plant species at all stages of growth. Drought and poor-quality irrigation cause high soil salinity and salt accumulation via evaporation, reducing crop productivity. Despite its critical importance, the spatial localization of salt ions and associated biochemical changes within plants experiencing high salinity remains largely unknown. In this study, we developed a multimodal imaging pipeline to understand the impact of salinity on the pistachio rootstock UCB-1 (Pistacia atlantica x Pistacia integerrima). We directly link biochemical fingerprints in stem tissue architecture with salt ion localization to provide insights into the strategies pistachio uses to tolerate salinity. Results: We observed that Pistacia spp. exposed to high salt conditions accumulated Ca, Si, Cl, Al and Mg as hotspots within the pith, compared to the control (of which only Ca and Al co-locate). In contrast, there was a decrease in K between the control and salinity treatment. Hotspots of amide I and II were present in the cortex and pith of the salinity treated sample. Additionally, the salinity treatment resulted in an increased abundance of pectin and carbohydrates within the pith compared to the control, and the abundance of esters/carboxylic acid was greater in the salinity treatment. Conclusions: We determined that Cl and K, S and P, and biochemical components polysaccharide and pectin, esters and carboxylic acid, amide I and cellulose are the strongest drivers of salinity- treatment induced variability. In the cortex and phloem/xylem, a negative K-Ca correlation decreases in the salinity treatment. Several hotspots of elements and amide I (proteins) appear under salinity treatment, particularly in the cortex, suggesting an increase in the production of stress-related proteins (in response to high Cl) and/or structural proteins (i.e. Ca). Together, these results indicate that pistachio responds to salinity through ion compartmentalization coupled with a targeted biochemical adjustment, rather than a broadscale tissue-wide response. Overall, these novel, spatially resolved pixel-registered multimodal imaging data provide an enabling platform to understand the mechanisms of salinity tolerance in Pistacia spp and can be broadly applied to studying stress-related phenotype response in various plant tissues.

FTIR spectromicroscopy↗

DOE OSTI2020

In situ synchrotron X-ray tomography of 304 stainless steels undergoing chlorine-induced stress corrosion cracking

To understand the mechanisms behind chlorine-induced stress corrosion cracking (CISCC) in 304 stainless steel, synchrotron high energy x-rays were used to perform in-situ x-ray microtomography on a pre-cracked sample under load in a corrosive simulated marine environment. The tomography scans showed the crack morphology evolving into a branching crack around the surface of the sample. Finite element analysis and stress intensity analysis are conducted to explain the observed crack branching.

304 Stainless Steel↗

DOE OSTI2025

Leveraging hyperspectral phenotyping for accurate, non-destructive prediction of metabolite profiles in poplar under drought stress

Accurately predicting drought tolerance in woody perennial bioenergy crops is critical for sustainable biomass production under fluctuating precipitation. Hyperspectral imaging (HSI) in the visible-near-infrared (VNIR) and shortwave-infrared (SWIR) ranges offers a promising approach for predicting plant biochemical traits, yet its application in metabolite profiling remains underexplored. We integrated VNIR+SWIR HSI with untargeted metabolomics to investigate drought-induced metabolic shifts in Populus leaves from eight Populus genotypes. Metabolite profiling identified 127 compounds, with 73 showing significant drought responses spanning amino acids (AA), carbohydrates (CHO), phenolic glycosides (PG), organic acids (OA), fatty acids and alcohols (FA), terpenes (T), phenolic metabolites (P), and unclassified metabolites. Spectral analysis revealed consistently higher reflectance across VNIR and SWIR wavelengths in drought-stressed plants, corresponding with increased accumulation of AA and reduced CHO and PG levels. Least absolute shrinkage and selection operator (LASSO) regression modeling identified robust spectral predictors of metabolite concentrations, associating VNIR wavelengths (500–700 nm) predominantly with AA and P, whereas SWIR wavelengths (1680–1700 nm) reliably predicted CHO, OA, and T. Several stable spectral-metabolite associations persisted across the two watering regimes (drought vs. well-watered), highlighting their potential as spectral biomarkers for non-destructive stress monitoring. Minimal genotype-specific variation suggests that observed spectral and metabolic responses were driven primarily by environmental factors, likely reflecting limited genetic diversity among the commercial Populus genotypes examined. This work establishes VNIR+SWIR hyperspectral imaging as a powerful, non-destructive phenotyping tool for precision monitoring and targeted improvement of drought resilience in bioenergy crops.

Biochemical trait prediction↗

DOE OSTI2023

The stress state in bismuth to 298 GPa and its use as a pressure transmitting medium and pressure marker at multi-megabar pressures

We have conducted diffraction studies of bismuth (Bi) to 298 GPa using both conventional and toroidal diamond anvil cells (DACs) to investigate its suitability as a pressure-transmitting medium (PTM) to such pressures. Using microfocused x-ray beams, we have determined the pressure dependence of the uniaxial stress component (⁠t⁠) in cubic Bi-V from 7 to 298 GPa and find that at 298 GPa, t < 0.5 GPa. Bi-V, therefore, cannot support significant shear stresses, making it an excellent PTM. We have also measured the compressibility of Bi-V against that of copper (Cu) and gold (Au), allowing it to be used as a pressure marker as well as a PTM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

A Non-Invasive Approach for Elucidating the Spatial Distribution of In-Situ Stress in Deep Subsurface Geologic Formations Considered for CO 2 Storage (Final Report)

The primary objectives of this project were to: develop a new, non-invasive method to define the orientation and magnitude of in-situ stresses in deep geologic formations (depths that exceed 1500 meters) considered for carbon dioxide (CO 2 ) sequestration; to demonstrate the method at a real field site; and, to extend current technical capabilities and reduce costs of acquiring information about deep-stress fields. This investigation was segmented into five tasks, including Project Management (Task 1) and four technical tasks (Tasks 2 through 5). The results of the technical tasks are described in this document.

02 PETROLEUM↗

DOE OSTI2022

A micromorphic filter for determining stress and deformation measures from direct numerical simulations of lower length scale behavior

A micromorphic filter is presented for the extraction of stress and deformation measures from underlying direct numerical simulation (DNS) of microstructural mechanical response. The filter is consistent with the micromorphic continuum theory of Eringen and Suhubi (1964), and allows the interrogation of a DNS to generate higher order constitutive models. The filter adopts aspects of the overlap coupling techniques for atomistic-continuum scale-bridging in order to update the nodal degrees of freedom of the finite-element-based filter. Here, two methods for the extraction of quantities of interest from the underlying DNS are presented. The first is a least squares fitting technique which is appropriate for finite-element-style macro-scale domains, and the second is a variationally based approach which generalizes the method to any macro-scale domain which has a variational form. No restrictions on the form of the micro-scale simulation are inherent to the approach, provided that the required quantities (stress, position, etc.) can be provided. The filter is applied to a simple homogeneous medium undergoing homogeneous deformation to demonstrate the recovery of a classical continuum response, what we call the null case. We then apply the framework to the same homogeneous medium with a central and edge penny-shaped crack to show micromorphic effects. We demonstrate that varying the size of the filter causes the micromorphic behaviors to arise and then dissipate as the filter becomes smaller than the crack's length scale. Additionally we show the effect of filter size on a chiral element network along with a plate perforated with evenly spaced and perturbed holes through the thickness. The micromorphic effects are shown to be present for the chiral elements under any loading but become most pronounced when a single element is located within each averaging domain. Micromorphic effects become pronounced for the plate upon the onset of localization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Convergence analysis of single rate and multirate fixed stress split iterative coupling schemes in heterogeneous poroelastic media

Recently, the accurate modeling of flow–structure interactions has gained more attention and importance for both petroleum and environmental engineering applications. Of particular interest is the coupling between subsurface flow and reservoir geomechanics. Different single rate and multirate iterative and explicit coupling schemes have been proposed and analyzed in the past. In addition, Banach fixed point contraction results were obtained for iterative coupling schemes, and conditionally stable results were obtained for explicit coupling schemes. In this work, we will consider the mathematical analysis of the single rate and multirate fixed stress split iterative coupling schemes for spatially heterogeneous poroelastic media. We will re–establish the contractivity for both schemes in the localized case, and we will show that heterogeneities come at the expense of imposing more restricted conditions on the number of fine flow time steps that can be taken within one coarse mechanics time step in the multirate case. Our mathematical analysis is supplemented by numerical simulations validating our derived upper bounds. Finally, to the best of our knowledge, this is the first rigorous mathematical analysis of the multirate fixed–stress split iterative coupling scheme in heterogeneous poroelastic media.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Nodal root diameter and node number in maize ( Zea mays L.) interact to influence plant growth under nitrogen stress

Under nitrogen limitation, plants increase resource allocation to root growth relative to shoot growth. The utility of various root architectural and anatomical phenotypes for nitrogen acquisition are not well understood. Nodal root number and root cross-sectional area were evaluated in maize in field and greenhouse environments. Nodal root number and root cross-sectional area were inversely correlated under both high and low nitrogen conditions. Attenuated emergence of root nodes, as opposed to differences in the number of axial roots per node, was associated with substantially reduced root number. Greater root cross-sectional area was associated with a greater stele area and number of cortical cell files. Genotypes that produced few, thick nodal roots rather than many, thin nodal roots had deeper rooting and better shoot growth in low nitrogen environments. Fewer nodal roots offset the respiratory and nitrogen costs of thicker diameter roots, since total nodal root respiration and nitrogen content was similar for genotypes with many, thin and few, thick nodal roots. We propose that few, thick nodal roots may enable greater capture of deep soil nitrogen and improve plant performance under nitrogen stress. Synergistic interactions between an architectural and anatomical trait may be an important strategy for nitrogen acquisition. Understanding trait interactions among different root nodes has important implications in for improving crop nutrient uptake and stress tolerance.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Energy Budget of Brittle Fracturing in Granite Under Stress Relaxation and Creep

Creep and relaxation are the two major time-dependent fracturing processes in rocks. While a considerable amount of research has been done in understanding these two mechanisms, critical gaps remain regarding how different energy components evolve during time-dependent fracturing processes in rocks. In this study, a series of relaxation and creep experiments were conducted on prismatic Barre granite specimens in the laboratory to estimate the energy budget of brittle fracturing in granite. For the input energy, the work done by the machine (W) is calculated and for the output energy the radiated seismic energy (E R ), released in the form of acoustic emissions (AEs), is calculated as the only measurable output energy component in the conducted experiments. The low-frequency plateau (Ω 0 ) and corner frequency (f 0 ) for each AE waveform was estimated by fitting the observed AE spectra with the theoretical spectra using the Omega model. These parameters were used to estimate the seismic moments (M 0 ) based on the radiation pattern for the double couple (shear) and non-double-couple (non-shear) events. The range of f 0 and M 0 varied from 150 to 750 kHz and 10 –4 to 10 –1 N m, respectively. Moment magnitude (M w ) varied in a wider range from –9 to –6 in creep and –8.5 to –7 in relaxation. Stress drops (Δ σ ) and source radius (r) were estimated for the AEs using Brune’s model. Here, the results report on three primary observations: (1) the effects of different source mechanisms on the estimated source parameters showed that M 0 and Δ σ were higher for DC events as compared to NDC in both relaxation and creep. (2) The radiation efficiency in the case of creep is 70% higher as compared to relaxation and, (3) the stress drop estimated in relaxation and creep demonstrated a breakdown in scaling with the seismic moment.

58 GEOSCIENCES↗

DOE OSTI2020

Tuning crack-inclusion interaction with an applied T -stress

The interaction between cracks and inclusions plays an important role in the fracture behavior of particulate composites. It is commonly recognized that an inclusion stiffer than the matrix tends to deflect an approaching crack away while a softer inclusion attracts the crack. Here, we demonstrate by analytical modeling and numerical simulations that the crack-inclusion interaction can be tuned by an applied T-stress. Under a sufficiently large compressive applied T-stress, cracks can be attracted to stiffer inclusions while repelled by softer ones, therefore reversing the conventional trend. Potential applications of this work include composite electrodes in lithium-ion batteries and hydraulic fracturing.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Method for Evaluating Irradiation Effects on Flow Stress in Fe-9%Cr ODS Using TEM In Situ Cantilevers

Transmission electron microscopic (TEM) in situ mechanical testing has become a widely utilized tool for simultaneously measuring mechanical properties and understanding fundamental deformation mechanisms in irradiated and nuclear materials. Although tensile and compression specimen geometries are amongst the most common, opportunities remain for investigating alternative geometries that could provide unique insights into the plasticity of irradiated materials. This research demonstrates a new TEM in situ cantilever beam configuration. Cantilevers are produced from as-received and proton irradiated (1 dpa, 500°C) Fe-9%Cr oxide dispersion strengthened (ODS) steel. Flow stress is measured using a TEM in situ depth-sensing mechanical testing holder. A 200 MPa increase in flow stress is measured due to irradiation. Size effects arise when the intrinsic (i.e. microstructural) size approaches the extrinsic (i.e. external dimensions) size and can be described using a power law relationship as a function of the material microstructure and cantilever dimensions.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Extraordinary creep resistance in a non-equiatomic high-entropy alloy from the optimum solid-solution strengthening and stress-assisted precipitation process

Improving creep resistance has commonly been achieved by the optimization of alloy design that results into strong solid-solution strengthening and/or coherent precipitates for dislocation blockage. High-entropy alloys (HEAs), despite their single-phase solid-solution nature, only exhibit creep properties that are comparable to precipitate-strengthened ferritic alloys. Moreover, many HEAs are found to be plagued with many incoherent second phases after long-term annealing, which reduces the lifetime and thus prohibits their usage at elevated temperatures. The present work demonstrates the extraordinary creep resistance of a non-equiatomic Al 0.3 CoCrFeNi HEA, in which the creep strain rate is found to be several orders of magnitude lower than the Cantor alloy and its subsets. Using a suite of characterization tools such as atom probe tomography (APT) and transmission electron microscopy (TEM), it was shown that a B2 precipitate phase that has been widely seen during annealing is suppressed during the early stage of the creep deformation. Currently, metastable and coherent L1 2 precipitates emerge and provide significant creep strengthening. This observation is rationalized by the coupling between the applied stress and the lattice mismatch. In the range of 973 ~ 1033 K, the stress exponent and activation energy were determined to be 3–6.53 and 390–548.2 kJ·mol –1 , respectively. The creep lifetime, on the other hand, is comparable to Cantor subset alloys because the precipitate free zone near the grain boundaries does not provide sufficient constraint for the grain boundary cavity growth. Furthermore, the present work provides a pathway to design novel HEAs with improved creep resistance.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Bulk-scale stress–strain hysteresis in layered crystalline solids: A study of graphite and Ti 3 SiC 2

Polycrystalline graphite and the MAX phase Ti 3 SiC 2 are layered crystalline solids with similar deformation mechanisms, including basal slip, ripplocation boundaries (RBs), kink boundaries (KBs), and cracking. The interplay of these mechanisms, notably in energy dissipation, has been much discussed in the past twenty-five years. This study builds upon previous work, investigating deformation with a renewed emphasis on the bulk-scale and given recent findings concerning RBs. Our investigation compares the evolution of energy dissipation, nonlinear recoverable and irrecoverable strain, and damage upon increasing stress for graphite and Ti 3 SiC 2 . Benitez et al.’s (2016) methodology of compressive cyclic loading and post-mortem electron backscatter diffraction (EBSD) to assess the prevalence of kinking based on low-angle grain boundaries (LAGBs) was used. Strains were measured with digital image correlation and EBSD was conducted on Ti 3 SiC 2 leveraging dictionary indexing, which was necessary herein to identify LAGBs accurately. The stress–strain stages of Ti 3 SiC 2 agree with literature on Ti 2 AlC. Damage and energy dissipation were more accelerated in graphite. No significant difference was observed in the fraction of LAGBs between pristine and unloaded Ti 3 SiC 2 . Trends observed and EBSD evidence that KBs were not dominant suggest that RBs are the primary dissipator of energy in both materials.

36 MATERIALS SCIENCE↗