3D bulk grain evolution in polycrystalline Cu:comparison between HEDM observation and FFT based crystal plasticity simulations

In this study, microstructural evolution in polycrystalline Cu is studied via high-energy X-ray diffraction microscopy (HEDM) and compared to the results of a fast Fourier transform (FFT) based small strain formulation of a crystal plasticity (CP) deformation model [1]. The nondestructive nature of the HEDM experiments enable in-situ measurement of bulk samples, thus allowing access to volumetric microstructure maps through multiple stages of deformation. A uniaxial tension experiment was performed and the reconstructed 3D image [2] of the initial state is used as a direct input in the CP-FFT model to simulate plastic deformation. Macroscopic texture evolution as well as local micromechanical fields evolution within individual 3D bulk grains are tracked and the prediction is compared with the observed phenomena. On a global scale, reasonable agreement is observed between the two results, whereas, only a weak match is demonstrated at grain level [3]. From the current results, we conclude the need for incorporating neighborhood effects and multigrain interactions in the polycrystalline models to improve the predictive capability. REFERENCES [1] Lebensohn, R.A. N-site modeling of a 3D viscoplastic polycrystal using fast Fourier transform. Acta Materialia. 2001, 49(14), 2723–2737. [2] Li, S.F., Suter, R.M. Adaptive reconstruction method for threedimensional orientation imaging. Journal of Applied Crystallography. 2013, 46(2), 512–524. [3] Pokharel, R. et al. Polycrystal plasticity: comparison between grain-scale observations of deformation and simulations. Annu. Rev. Condens. Matter Phys. 2014, 5, 317–346

In-Situ measurement of hydride corrosion of uranium using X-ray and neutron scattering techniques

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Needs, trends, and advances in scintillators for radiographic imaging and tomography

Scintillators are important materials for radiographic imaging and tomography (RadIT), when ionizing radiations are used to reveal internal structures of materials. Since its invention by R\"ontgen, RadIT now come in many modalities such as absorption-based X-ray radiography, phase contrast X-ray imaging, coherent X-ray diffractive imaging, high-energy X- and $\gamma-$ray radiography at above 1 MeV, X-ray computed tomography (CT), proton imaging and tomography (IT), neutron IT, positron emission tomography (PET), high-energy electron radiography, muon tomography, etc. Spatial, temporal resolution, sensitivity, and radiation hardness, among others, are common metrics for RadIT performance, which are enabled by, in addition to scintillators, advances in high-luminosity accelerators and high-power lasers, photodetectors especially CMOS pixelated sensor arrays, and lately data science. Medical imaging, nondestructive testing, nuclear safety and safeguards are traditional RadIT applications. Examples of growing or emerging applications include space, additive manufacturing, machine vision, and virtual reality or `metaverse'. Scintillator metrics such as light yield and decay time are correlated to RadIT metrics. More than 160 kinds of scintillators and applications are presented during the SCINT22 conference. New trends include inorganic and organic scintillator heterostructures, liquid phase synthesis of perovskites and $\mu$m-thick films, use of multiphysics models and data science to guide scintillator development, structural innovations such as photonic crystals, nanoscintillators enhanced by the Purcell effect, novel scintillator fibers, and multilayer configurations. Opportunities exist through optimization of RadIT with reduced radiation dose, data-driven measurements, photon/particle counting and tracking methods supplementing time-integrated measurements, and multimodal RadIT.Comment: 45 pages, 43 Figures, SCINT22 conference overvie

Physics-constrained 3D convolutional neural networks for electrodynamics

We present a physics-constrained neural network (PCNN) approach to solving Maxwell’s equations for the electromagnetic fields of intense relativistic charged particle beams. We create a 3D convolutional PCNN to map time-varying current and charge densities J(r, t) and ρ(r, t) to vector and scalar potentials A(r, t) and φ(r, t) from which we generate electromagnetic fields according to Maxwell’s equations: B = ∇ × A and E = −∇φ − ∂A/∂t. Our PCNNs satisfy hard constraints, such as ∇ · B = 0, by construction. Soft constraints push A and φ toward satisfying the Lorenz gauge

Effects of heat treatment and build orientation on the evolution of ϵ and α′ martensite and strength during compressive loading of additively manufactured 304L stainless steel

The effect of heat-treatment and build orientation on martensitic phase transformation in additively manufactured (AM) 304L stainless steel is studied and compared with conventionally produced wrought material. The relationships between observed martensitic transformations and material microstructures and their effects on mechanical strength are established through experimental observations. In situ high-energy X-ray powder diffraction measurements were performed to monitor the evolution of ϵ and α′ martensite during compressive loading of stainless steel. Electron backscatter diffraction (EBSD) was used to provide insight on initial grain morphology, crystallographic misorientation within grains, and crystallographic texture. Heat treatment alters the microstructure of AM samples creating different initial conditions. This difference in starting microstructure resulted in variability in martensitic transformation during compressive deformation. The rate of martensitic transformation decreased for AM samples treated with temperatures up to 1100∘C, after which the AM microstructures recrystallized, resulting in increased rate of martensitic transformation for those samples treated at higher temperatures. It was also observed that aligning the axis of compression with the AM build direction resulted in a lower rate of strain-induced martensite formation as opposed to aligning the compression axis perpendicular to it. More favorable distribution of crystal orientations in the latter loading orientation promoted martensitic transformation. These and additional experimental observations from EBSD in terms of kernel average misorientation, mean grain orientation spread, and mean crystallite size reveal strong microstructural effects on strength of additively manufactured metallic materials

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. 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 FE-EPSC 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

Fatigue crack initiation, slip localization and twin boundaries in a nickel-based superalloy

The study of fatigue in metals, and fatigue initiation specifically, lends itself to analysis via an emerging set of characterization and modeling tools that describe polycrystals on the meso- or microstructural length scale. These include three-dimensional characterization techniques, elastic anisotropic and visco-plastic stress models, new approaches to the statistical description of stress and strain distributions, synthetic microstructure modeling, and improved tools for manipulating the large datasets generated. A specific example of analysis in both 2D and 3D of fatigue cracks in a nickel-based superalloy is given where all the cracks are effectively coincident with coherent twin boundaries. A spectral method is used to analyze the stress state based on a fully anisotropic elastic calculation. The results indicate that, although a high resolved shear stress is associated with the locations of the observed cracks, the length of the trace of the twin boundary is more strongly correlated with crack formation.close0