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The slip behavior of dislocations and grain boundaries critically governs recrystallization and plastic deformation in Mg alloys and can be strongly influenced by solutes. However, the quantitative effects of solute distribution on defect…
Interactions among dislocations and solute atoms are the basis of several important processes in metals plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which…
We present a novel monolithic divergence-conforming HDG scheme for a linear fluid-structure interaction (FSI) problem with a thick structure. A pressure-robust optimal energy-norm estimate is obtained for the semidiscrete scheme. When…
Molecular dynamics and parallel-replica dynamics simulations are applied to investigate the atomic structures and diffusion processes at {\text{Al}\{111\}}\parallel{\text{Si}}\{111\} interphase boundaries constructed by simulated vapor…
Accurate prediction of vacancy migration energy barriers, $\Delta E_a$, in multi-component alloys is extremely challenging yet critical for the development of diffusional transformation kinetics needed to model alloy behavior in many…
Slow dynamic nonlinearity is widely observed in brittle materials with complex heterogeneous or cracked microstructures. It is seen in rocks, concrete and cracked glass blocks. Unconsolidated structures show the behavior as well: aggregates…
Turbulent flows posses broadband, power-law spectra in which multiscale interactions couple high-wavenumber fluctuations to large-scale dynamics. Although diffusion-based generative models offer a principled probabilistic forecasting…
This paper deals with the analysis of qualitative properties involved in the dynamics of Keller-Segel type systems in which the diffusion mechanisms of the cells are driven by porous-media flux-saturated phenomena. We study the…
The inverse design of metamaterial architectures presents a significant challenge, particularly for nonlinear mechanical properties involving large deformations, buckling, contact, and plasticity. Traditional methods, such as gradient-based…
We report on a study of (001) oriented fcc Fe-Ni alloy surfaces which combines first-principles calculations and low-temperature STM experiments. Density functional theory calculations show that Fe-Ni alloy surfaces are buckled with the Fe…
Turbulent flows have been used for millennia to mix solutes; a familiar example is stirring cream into coffee. However, many energy, environmental, and industrial processes rely on the mixing of solutes in porous media where confinement…
Diffusion is the macroscopic manifestation of disordered molecular motion. Mathematically, diffusion equations are partial differential equations describing the fluid-like large-scale dynamics of parcels of molecules. Spatially…
The co-segregation of impurities in multicomponent alloys has been widely recognized as an effective strategy for tailoring material properties. However, quantitative predictions of co-segregation behavior remain a significant challenge for…
We have calculated the migration barriers for surface diffusion on Tungsten. Our results form a self-sufficient parameterization for Kinetic Monte Carlo simulations of arbitrarily rough atomic tungsten surfaces, as well as nanostructures…
Minimally stable site (MSS) clusters play a dominant role in shaping avalanches in the self-organized critical (SOC) systems. The manipulation of MSS clusters through local smoothings (diffusion) alter the MSS landscape, suppressing rare…
Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…
Estimating composition dependent diffusion coefficients in multicomponent alloys was a longstanding challenge due to limitations in experimental methods. In this study, we have first demonstrated a strategic design of producing only three…
Copper (Cu) segregation in medium and high-entropy alloys (M/HEAs) has shown significant influence on alloy properties. In this study, we investigate the effect of Cu segregation on evolution of irradiation-induced defects in FeNiCu, a…
Diffusion models (DMs) have been adopted across diverse fields with its remarkable abilities in capturing intricate data distributions. In this paper, we propose a Fast Diffusion Model (FDM) to significantly speed up DMs from a stochastic…
Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for…