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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

On the completeness of contraction map proof method for holographic entropy inequalities

The contraction map proof method is the commonly used method to prove holographic entropy inequalities. Existence of a contraction map corresponding to a holographic entropy inequality is a sufficient condition for its validity. But is it also necessary? In this note, we answer that question in affirmative for all linear holographic entropy inequalities with rational coefficients. We show that the pre-image of a non-contraction map is not a hypercube, but a proper cubical subgraph, and show that this manifests as alterations to the geodesic structure in the bulk, which leads to the violation of inequalities by holographic geometries obeying the RT formula.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

SOMAS: a platform for data-driven material discovery in redox flow battery development

Abstract Aqueous organic redox flow batteries offer an environmentally benign, tunable, and safe route to large-scale energy storage. The energy density is one of the key performance parameters of organic redox flow batteries, which critically depends on the solubility of the redox-active molecule in water. Prediction of aqueous solubility remains a challenge in chemistry. Recently, machine learning models have been developed for molecular properties prediction in chemistry and material science. The fidelity of a machine learning model critically depends on the diversity, accuracy, and abundancy of the training datasets. We build a comprehensive open access organic molecular database “Solubility of Organic Molecules in Aqueous Solution” (SOMAS) containing about 12,000 molecules that covers wider chemical and solubility regimes suitable for aqueous organic redox flow battery development efforts. In addition to experimental solubility, we also provide eight distinctive quantum descriptors including optimized geometry derived from high-throughput density functional theory calculations along with six molecular descriptors for each molecule. SOMAS builds a critical foundation for future efforts in artificial intelligence-based solubility prediction models.

25 ENERGY STORAGE↗
DOE OSTI2020

Cubic crystals in an x-ray polarization-splitting geometry

Hexagonal and cubic crystals contain paired sets of internal planes that reflect the linearly polarized components of certain x rays into two separate, perpendicular directions. For the cubic crystals, two distinct crystal orientations provide the same polarization-splitting geometry. One of the orientations may have advantages for plasma spectroscopy by suppressing unwanted reflections. This paper demonstrates the two orientations with a germanium crystal and K characteristic lines from copper and zirconium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Spacecraft Geometry Effects on Kinetic Impactor Missions

Abstract The DART (Double Asteroid Redirection Test) mission will impact a spacecraft on the secondary (Dimorphos) of the binary asteroid system Didymos in 2022 September, with the goal of altering the orbital period of Dimorphos about Didymos sufficiently to be observed from ground-based observations. Numerical impact modeling is a crucial component in understanding the outcome of the DART experiment, and while many have investigated the effects of target properties, such as material strength and porosity (which remain unknown), an often overlooked factor is the importance of accurately representing the spacecraft itself in such models. Most impact modeling to date has considered simple impactor geometries such as a solid uniform sphere, but in reality the spacecraft is a complex shape full of different components, open spaces, and thin walled structures. At a minimum, a simple solid representation underestimates the surface area of the impact: for a small body such as Dimorphos (approximately 160 m in diameter), the difference between a spacecraft spanning 20 m (including solar arrays) impacting and a sub-1 m idealized shape may be important. In this paper, we compare models impacting high-fidelity models of the spacecraft based on the CAD geometry with various simplified impactors, in order to assess the potential importance of this effect. We find that the difference between the simplest impactor geometries (such as a uniform sphere) and the real spacecraft is measurable, and has an interesting dependence on the material properties of the asteroid itself.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A tutorial on the micro-trench technique for incident ion angle, material erosion, and impurity deposition measurements at plasma-facing surfaces

The micro-trench method is a new technique to measure polar and azimuthal incident ion angles, material erosion, and impurity deposition at plasma-facing surfaces, and has been applied in the DIII-D divertor. This article gives a tutorial of the micro-trench technique consisting of six steps: (1) micro-trench fabrication, (2) pre-exposure measurement of the fabricated micro-trench geometry, (3) tracer material deposition, (4) plasma exposure, (5) post-exposure observation of the tracer material, and (6) post-exposure measurement of the micro-trench geometry. Two criteria need to be satisfied to apply the micro-trench method successfully: (i) uniform impurity deposition on the micro-trench floor, and (ii) erosion dominated by the physical sputtering induced by the impinging ions. Furthermore, when those two criteria are satisfied, post-exposure analysis of the impurity deposition patterns on the micro-trench floor may be used to determine the polar and azimuthal incident ion directions (mean values of the ion angle directions), erosion rate, and impurity deposition rate during plasma exposure without computational interpretation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Using 3D Measurements from MRI to Improve VVUQ

Magnetic resonance velocimetry (MRV) is a diagnostic that can measure 3D, three-component turbulent velocity fields in arbitrarily complex flow configurations. The approach uses magnetic resonance imaging (MRI), which is a system commonly available in radiology departments or medical research centers. MRV acquires signal from hydrogen protons in water channel flows. Despite the obvious utility of the measurements for investigating a variety of flows, comparisons with computational fluid dynamic (CFD) simulations largely retain traditional metrics, comparing velocity profiles and planes at discrete regions within the flow rather than using the 3D nature of the measured field. In this effort, MRV was conducted in a simple water channel with six spanwise-centered periodic obstacles roughly shaped as cubes. At a fully turbulent Reynolds number of 15,000, the channel includes two flows: a main streamwise flow and, in the wake of the second obstacle, an injected flow oriented perpendicular to the streamwise flow. The flow geometry includes partial obstacles on the side walls and is inherently 3D because of the interaction of the two streams and the wake features, making the flow challenging to completely measure with traditional optical techniques. Aside from line profiles and planar comparisons, two 3D metrics are used to compare the data with a steady Reynolds-averaged Navier–Stokes (RANS) simulation result. A brief discussion about the comparison is provided, including comments about uncertainty.

Benson, Mike [ORNL] (ORCID:000000023210116X)↗
DOE OSTI2023

Criticality Experiments to Reduce Compensating Errors in Plutonium Nuclear Data

Compensating errors between nuclear data observables in a library can adversely impact application simulations. The primary goal of the EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) is to reduce compensating errors in nuclear data. A new criticality experiment, described in this work, was designed with the specific target nuclear data of 239 Pu fission, inelastic scattering, elastic scattering, capture, nu-bar, and prompt fission neutron spectrum (PFNS). This work will focus on the design and execution of the EUCLID experiment, performed on the Planet vertical lift critical assembly machine at the National Criticality Experiments Research Center (NCERC). The criticality experiment includes two different configurations with very different geometries: one is cube-like to minimize neutron leakage while the other is slab-like to maximize leakage. Having these two widely varying configurations allows the scattering sensitivities of 239 Pu to the neutron multiplication factor to be greatly changed while minimally impacting the other cross section sensitivities. Both configurations utilize the Pu ZPPR (Zero Power Physics Reactor) plates as fuel. The experiments were designed using a D-Optimality criteria, which is an optimization method minimizing the log-determinant of the adjusted nuclear data covariance for the target reactions. These experiments include not only inference of k eff , as done in all critical benchmark experiments, but several other responses as well, such as neutron multiplication measurements and reaction rate ratios. After analysis of the measured data is complete, adjustment of nuclear data will be performed to assess whether the new experimental data successfully reduced compensating errors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Thermal characterization of the build chamber in electron beam melting

Electron beam powder bed fusion, commonly termed electron beam melting (EBM), offers great versatility in multiple-part processes and can produce high quality as-built components due to low residual stresses. The EBM process is complex and requires careful thermal management, including uniform and consistent preheating of the powder bed, in order to ensure quality and consistency of the product. However, most of the simulations in the literature focus on the selective melting stage of the process. As of today, optimal conditions for initial pre-heating temperatures are only available for specific materials. Thus, in order to extend the EBM technology to other desired build materials, a much better understanding of the pre-heating stages is required. In this work, numerical and experimental approaches are combined in order to investigate the effects and sensitivities of heat removal from the build plate during EBM pre-heating stages. For this purpose, a carefully reconstructed numerical model of the build chamber of an ARCAM Q20 + machine is developed. It includes all main parts of the chamber and all relevant heat transfer mechanisms, whereas special attention is paid to radiation heat exchange between various bodies. In order to validate the model, dedicated experiments are performed, in which a system of thermocouples is installed in the build chamber, allowing direct measurement of the local temperatures of the start-plate and heat shields. A good agreement between the simulation and experimental findings is achieved, leading to a better understanding of the thermal processes characteristic to the pre-heating stages. This basic analysis is followed by a representative pre-heating case, where a powder bed is also considered. The energy required to obtain the desired pre-heating temperatures is evaluated, and the role of the powder bed in heat transfer within the chamber is assessed. The pre-heating stage, simulated in the present work, is supposed to create proper conditions for sintering and consequent melting of the powder, which are highly dependent on the local temperatures and heat transfer features. Thus, the findings of the reported work present a step towards a better understanding of the thermal processes that characterize EBM. The reported model can be further used to provide realistic boundary condition inputs for other meso- or macro-scale models as a function of time and geometry. The model can serve also for verification of machine settings, i.e., jump-safe and melt-safe ones which actually provide desired preheat, and for development of settings for new powders.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Macroscopic modeling of gas permeability in hierarchical micro/nanoporous media: A unified characterization of rarefaction using Klinkenberg theory and equivalent diameter

Estimating gas transport through a hierarchical micro/nanoporous system is challenging due to non-equilibrium gas dynamics. The primary difficulty lies in determining the rarefaction level, because identifying a representative flow dimension in a complex porous system with multiple pore scales is not straightforward. Our study performed a pore-level analysis for gas permeability in dual-scale porous media with varying porosity, throat size, and secondary pore size under different rarefaction conditions. We found that secondary porosity negatively affects permeability due to increased friction forces, with this influence growing as the secondary pore size and porosity increase until the secondary pore becomes comparable to the throat. However, rarefaction reduces the effects of secondary pores due to boundary slip. Traditional Knudsen number (Kn) calculations based on Darcy-defined height failed to accurately describe the rarefaction effects on gas permeability. Instead, we introduced an equivalent diameter to calculate the Kn, which provided an accurate normalization of apparent gas permeability independent of pore geometry. Furthermore, the extended Kozeny–Carman–Klinkenberg model developed in our previous study successfully yielded a macroscopic model for apparent gas permeability in hierarchical micro/nanoporous systems as a function of the traditional Darcy height and porosity.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2020

Modeling of SRS Aluminum-clad Spent Nuclear Fuel in Standard DOE Sealed Canisters

At the Savannah River Site (SRS), approximately 7 MTHM of aluminum-clad spent nuclear fuel is currently in wet storage at L-basin. A significant portion of this fuel is slated to be dried and sealed in DOE standard canisters for long-term storage. This report will focus on a few fuel types, which should bound all other fuel stored at SRS. These consist of the reference fuel assembly, the MURR fuel and the HFIR fuel. These bound a hypothetical maximum scenario for MTR box fuel, a maximum for decay heat in an assembly, and a maximum for the aluminum surface area, respectively. The geometry for the packages were created from DOE specifications for storage of each of the fuels. As long as the minimum time from reactor discharge to sealed storage is 3 years, then the highest temperatures which occur within the sealed canisters do not exceed 100° C for all scenarios considered here. In the geometry considered, while the HFIR fuel has a large surface area, the packaging configuration leaves large void areas, such that the aluminum surface to free volume ratio is about 30% less than an ATR or MURR packaging configuration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

VERAOneway Coupling for Transients

The VERAOneWay (VOW) package provides one-way coupling between two Nuclear Energy Advanced Modeling and Simulation (NEAMS) codes: the Virtual Environment for Reactor Applications (VERA) and BISON. This package was initially designed and tested on multicycle pressurized water reactor (PWR) problems. Recent work has improved VOW and extended its capability to other problems. VOW was enhanced to simulate fuel performance for reactor transients. Additional fuel types and geometries were added to cover boiling water reactor (BWR) fuels. The BISON version and templates were updated to the most recent version and best practices. The code was refactored to make it easier to add features and to extend VOW to other codes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Uncertainty Quantification for Component Modeling Using the Discrete-Direct Approach

Threaded fastener behavior can be an important aspect of complex component and system behavior, but there is no one-size-fits-all finite element analysis technique. Proper modeling of threaded fastener joints requires careful consideration of many details, from test setup and data acquisition to constitutive modeling and uncertainty quantification approaches. This report details analysis of a “mini-radax” bolted-joint exemplar where a Discrete-Direct uncertainty quantification approach is employed to evaluate margin of the component. The mini-radax geometry is tested to failure on a drop table, and single-coupon tests of individual fasteners serve as foundational data for the analysis. Analysis predictions complement the test data well and provide additional context for engineering decision-making.

42 ENGINEERING↗
DOE OSTI2021

Design and Optimization of a Gas-Cooled, Airfoil Fin Microchannel Heat Exchanger

High-performance microchannel heat exchangers are needed to supply heat for power conversion for nuclear microreactors. An airfoil fin microchannel design, constructed of Alloy 617 with helium as the working fluid, was analyzed and optimized using a design of experiments with artificial intelligence and machine learning techniques. The use of airfoil fins offers the potential to reduce pressure drop across the heat exchanger, as compared to other types of channel configurations. A framework for topology optimization of airfoil fin PCHEs has been developed that can be readily extended to different fin sizes and shapes, as well as different inlet and operating conditions, materials of construction, and working fluids. An optimization procedure was developed that employs computational fluid dynamics for a set of design points identified using Latin hypercube sampling. STAR-CCM+ was used to analyze a simplified two-channel configuration where five parameters were varied – inlet angle, fin scale, extent of staggering, transverse and longitudinal pitches. Two methods were compared for generating surrogate models – a 5D polynomial and a regression neural network. A response surface approximation was created from the surrogate models and input to a genetic algorithm. The genetic algorithm identified a set of optimal points on the Pareto front. The optimal geometry was found across six channel Reynolds numbers ranging from 1000 to 5000 to analyze how varying inlet conditions affects the optimal design. A set of optimal designs that maximizes heat transfer and minimizes pressure drop was identified, and a thermal stress analysis was performed on the optimal design. This work has developed a digital framework for the expedient topology design and evaluation of PCHE designs for gas-cooled microreactor applications. Correlations for the Nusselt number and Darcy friction factor were developed that can be useful for thermal hydraulic analyses using system codes. A thermal stress analysis was conducted and a brief discussion of the status of code cases of PCHEs for nuclear applications is given. Testing and thermomechanical modeling is needed to facilitate future code compliance of PCHEs for high pressure and high temperature applications.

42 ENGINEERING↗
DOE OSTI2023

A Conservative Finite-Volume Based Interface-Tracking Algorithm Using the Signed Distance Function

Methods for tracking an interface between two fluid phases are developed to ensure desired fluid properties, conservation, and stability are preserved in a finitevolume (FV) discretization. Here, the interface is tracked using a level set method where the signed distance function implicitly defines the interface. Marching methods are used to evaluate the value of the signed distance function, including a novel initialization method to initialize any implicit function to the signed distance function around sharp corners in the level set. Global conservation and consistency with a set of governing equations is enforced by a compression coefficient that measures the volumetric compression or expansion due to inaccuracies in the level set evaluation. A redistribution method is integrated into the volume correction to eliminate the small-cell instability while maintaining global conservation. This suite of methods is implemented and tested using static uniform velocity, and potential flow cases with multiple interface geometries. Results show these methods achieve up to second order accuracy, and are conservative. The application for these methods is intended to track the interface of a 3D printing filament in a finite-volume discretization of the all-speed Navier-Stokes equations.

42 ENGINEERING↗
DOE OSTI2023

Linearized Pair-Density Functional Theory for Vertical Excitation Energies

Multiconfiguration pair-density functional theory (MC-PDFT) is a computationally efficient method that computes the energies of electronic states in a state specific or state average framework via an on-top functional. However, MC-PDFT does not include state interaction among these states since the final energies do not come from the diagonalization of an effective model-space Hamiltonian. Recently, multistate extensions such as linearized PDFT (L-PDFT) have been developed to accurately model the potentials near conical intersections and avoided crossings. However, there has not been any systematic study evaluating their performance for predicting vertical excitations at the equilibrium geometry of a molecule, when the excited states are generally well separated. In this paper, we report the performance of L-PDFT on the extensive QUESTDB data set of vertical excitations using a database of automatically selected active spaces. We show that L-PDFT performs well on all these excitations and successfully reproduces the performance of MC-PDFT. These results further demonstrate the potential of L-PDFT, as its scaling is constant with the number of states included in the state-average manifold, whereas MC-PDFT scales linearly in this regard.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Digital Twin Model for Advanced Manufacture of a Rotating Detonation Engine Injector

A digital twin material model (DTMM) of an additive manufacturing (AM) process was created to advance the state of the art in rotating detonation engine (RDE) injector design. Current RDE injectors are designed with large pressure drops, enabling a stable and repeatable combustion process. However, this comes at the cost of system efficiency. For the technology to transition to commercial fossil-based power generation, it is important to develop injectors with reduced flow losses. Low-loss injectors are difficult to design and manufacture with conventional manufacturing techniques. AM enables new design options, but the AM manufacturing process must be thoroughly understood to result in a robust design. A DTMM provides the necessary insight by defining the cause-effect relationships between process parameters, microstructure features, and properties. Therefore, a DTMM to support the design and manufacturing process was developed and applied to the design of a new additively manufactured low-loss injector. The injector combustion behavior was characterized through hot-fire tests, and mechanical performance was compared to the DTMM predictions. The two project goals were the successful development of the DTMM and the demonstration of an improved RDE injector design. The RDE injector design and DTMM developments occurred on parallel but dependent paths. The injector was designed to reduce pressure drop by increasing the cross-sectional flow area ratio between the injector air passages and the combustor annulus. This resulted in less structural material, raising the concern that thin members would be susceptible to high-cycle fatigue (HCF) under the periodic loading inherent to an RDE. It was most important for the DTMM to predict behavior in these features; therefore, the injector design concept guided the material thicknesses used in fatigue tests. The DTMM development started by manufacturing a series of coupons over the range of possible AM process variations. A design-of-experiment approach was used to select which process variable combinations gave the most efficient coverage relevant to the injector design space. The microstructure in each of these coupons was characterized, and then computational methods were used to create a numerical model of the correlation between process variables and microstructure. Next, a set of HCF samples were tested to calibrate existing models that map microstructure to HCF performance. Together, these two links formed the DTMM that calculates HCF behavior from AM process variables. Two injector prototypes were additively manufactured. The first injector design strategy aggressively pursued low-loss performance by substantially increasing the oxidizer flow area. The combination of manufacturing lead times and the fatigue testing schedule meant that the DTMM was not available when building this first prototype. Therefore, its process parameters were chosen based on a manual review of the available coupon data. This prototype was built successfully and evaluated in 58 combustion tests. Sustained detonation was achieved with remarkably reduced pressure loss, and some tests even displayed pressure loss characteristics similar to conventional gas turbine combustors. This achieved the project goal of improving RDE injector design. The second injector was manufactured according to the optimized parameters predicted by the DTMM. The flow area modifications of this injector were less aggressive than the first injector since demonstrating low pressure loss was not an objective of the second hot-fire test series. Rather, the test objective was to cause high cycle fatigue failure in the part due to periodic loading from the rotating detonation wave. The observed number of cycles to failure was to be compared to the number predicted by the DTMM and thereby assess the utility of the DTMM in component design. However, the required level of vibration was not obtained during combustion. Therefore, high cycle fatigue was not experienced in the hot-fire tests of the second injector. Fatigue data was obtained by further testing the second injector in a conventional HCF test apparatus. The injector demonstrated HCF strength above the DTMM prediction. In fact, it did not fail and testing was only discontinued due to reaching the end of the period of performance. This points to some success in the project’s primary goal of successfully developing and applying the DTMM to a component design. Implementing the DTMM recommendations for optimal processing parameters led to a part with acceptable properties. The DTMM was also shown to be an efficient correlator of data and to provide insight into the relationship between process settings, microstructure, and property performance. However, the failure of the DTMM prediction to match the experimental result of the injector fatigue test also points to the need to include significantly more data in the model development. In this project, coupons made with identical processing parameters exhibited drastically different properties from each other and from the injector part, which clearly influences the accuracy of a model that predicts performance based on parameters. Uncertainties in the build process must be quantified to develop more robust models. A denser and broader matrix of coupon process and geometry variations, several repeated builds of every point, more in-situ build process measurements, and direct observation of tensile and HCF sample microstructure (as opposed to separate microstructure specimens) are recommendations to improve future AM modeling efforts.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Photoelectron spectroscopy and computational investigations of the electronic structures and noncovalent interactions of cyclodextrin-closo-dodecaborate anion complexes x-CD·B12X122- (x = a, ß, y; X = H, F)

We report a joint negative ion photoelectron spectroscopy (NIPES) and computational study on the electronic structures and noncovalent interactions of a series of cyclodextrin-closo-dodecaborate dianion complexes, ?-CD·B12X122- (? = a, ß, ?; X = H, F). The measured vertical / adiabatic detachment energies (VDEs / ADEs) are 1.15/0.93, 3.55/3.20, 3.90/3.60, and 3.85/3.60 eV for B12H122- and its a-, ß-, ?-CD complexes, respectively; while the corresponding values are 1.90/1.70, 4.00/3.60, 4.33/3.95, and 4.30/3.85 eV for the X = F case. These results show that the inclusion of B12X122- into the CD cavities greatly increase the electronic stability of the dianions. The effect of electronic stabilization for ß-CD is roughly the same as for ?-CD, both being considerably stronger than that for a-CD. Density functional theory (DFT) based geometry optimization reveals that B12X122- are inserted into CDs increasingly deeper from a-CD to ?-CD. The calculated VDEs and ADEs agree with the experiments well, particularly, reproducing the electron binding energy (EBE) trends. The molecular orbital analyses indicate that the most loosely bound photodetached electrons origin from the guest B12X122- moieties. In addition to a shift of all signals to larger EBE, significant changes in the signal patterns are observed. At low EBE, this is due to the splitting of highly degenerate B12X122- orbitals, while at high EBE, photodetachment from CD oxygens contributes to the new bands. The guest B12X122- and host CD nocovalent, size-specific interaction based on the independent gradient model (IGM) and energy decomposition analysis (EDA), is dominated by electrostatic interactions. The analysis further unravels unambiguiously the existence of dihydrogen bonding and how it affects the total energy that stabilizes the host-guest complexes of CDs·B12H122- compared to the general hydrogen bonding interaction in CDs·B12F122-. This work clearly exhibits strong influences on the electronic structures of dodecaborates upon clustering with CDs, with both size (a-, ß-, ?-) and molecular (X = H or F) specificities, thus providing critical molecular-level information on the cyclodextrin-closo-dodecaborate interactions of interest to medical applications, e.g. Boron neutron capature therapy. The NIPES experiments done at PNNL were supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Bioscience (X.-B.W.) and was performed at the EMSL, a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. H.S. and Z.S. acknowledge the funding support of National Natural Science Foundation of China (Nos.11727810, 61720106009 and 21603074), the Science and Technology Commission of Shanghai Municipality (Nos. 19JC1412200), and the Program of Introducing Talents of Discipline to Universities 111 project (B12024). Z. L. thanks the China Scholarship Council (CSC) for financial support. We acknowledge the ECNU Multifunctional Platform for Innovation (001) and HPC Research Computing Team for providing computational and storage resources. J.W. acknowledges support from the Alexander von Humboldt foundation (Feodor Lynen Fellowship and Rückkehrerstipendium), a Freigeist fellowship of the Volkswagenfoundation and Prof. Vladimir A. Azov for helpful discussions.

Li, Zhipeng↗
DOE OSTI2020

A Generalized Stress Inversion Approach With Application to Residual Stress Estimation

In this work develop a generalized stress inversion technique (or the generalized inversion method) capable of recovering stresses in linear elastic bodies subjected to arbitrary cuts. Specifically, given a set of displacement measurements found experimentally from digital image correlation (DIC), we formulate a stress estimation inverse problem as a partial differential equation-constrained optimization problem. We use gradient-based optimization methods, and we accordingly derive the necessary gradient and Hessian information in a matrix-free form to allow for parallel, large-scale operations. By using a combination of finite elements, DIC, and a matrix-free optimization framework, the generalized inversion method can be used on any arbitrary geometry, provided that the DIC camera can view a sufficient part of the surface. We present numerical simulations and experiments, and we demonstrate that the generalized inversion method can be applied to estimate residual stress.

42 ENGINEERING↗