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The low symmetry of monoclinic $\beta$-Ga$_2$O$_3$ leads to elaborate intrinsic defects, such as Ga vacancies split amongst multiple lattice sites. These defects contribute to fast, anisotropic Ga diffusion, yet their complexity makes it…
Site-controlled quantum dots formed during the deposition of (Al)GaAs layers by metalorganic vapor-phase epitaxy on GaAs(111)B substrates patterned with inverted pyramids result in geometric and compositional self-ordering along the…
Convergence of density-functional supercell calculations for defect formation energies, charge transition levels, localized defect state properties, and defect atomic structure and relaxation is investigated using the arsenic split…
Generative modeling of spatio-temporal fields is crucial for a variety of applications, including stochastic weather generators and climate-model surrogates. However, many such fields exhibit complex dependence structures that vary across…
Ab initio molecular dynamics simulations are employed to investigate the dominant migration mechanism of the gallium vacancy in gaas as well as to assess its free energy of formation and the rate constant of gallium self-diffusion. our…
Local diffusion coefficients in disordered systems such as spin glass systems and living cells are highly heterogeneous and may change over time. Such a time-dependent and spatially heterogeneous environment results in irreproducibility of…
3D occupancy prediction is critical for comprehensive scene understanding in vision-centric autonomous driving. Recent advances have explored utilizing 3D semantic Gaussians to model occupancy while reducing computational overhead, but they…
Accurate estimation of Aerosol Optical Depth (AOD) is crucial for understanding climate change and its impacts on public health, as aerosols are a measure of air quality conditions. AOD is usually retrieved from satellite imagery at coarse…
The structure property of non-ideal Si/GaAs heterostructures that were integrated with the ultra-thin oxide (UO) tunneling interfacial layer has been systematically investigated. Si nanomembranes (NMs) were oxidized in different time…
In this paper, we propose a Bayesian matrix-variate spatiotemporal modeling framework for jointly analyzing multiple response variables observed at spatial locations over time. The approach relaxes the standard assumption of spatial…
This paper investigates the modeling of an important class of degradation data, which are collected from a spatial domain over time; for example, the surface quality degradation. Like many existing time-dependent stochastic degradation…
We construct flexible spatio-temporal models through stochastic partial differential equations (SPDEs) where both diffusion and advection can be spatially varying. Computations are done through a Gaussian Markov random field approximation…
Converting neutron scattering data to real-space time-dependent structures can only be achieved through suitable models, which is particularly challenging for geometrically disordered structures. We address this problem by introducing…
The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility…
The distribution of local residual stresses (threshold to instability) that controls the statistical properties of plastic flow in athermal amorphous solids is examined with an atomistic simulation technique. For quiescent configurations,…
We study the three-dimensional (3D) spatially-resolved distribution of the energy density of light in a 3D scattering medium upon the excitation of open transmission channels. The open transmission channels are excited by spatially shaping…
We account for lateral orderings of III-V nanostructures resulting from a GaAs/InAs/InGaAs/GaAs sequence grown on GaAs by metallorganic vapour phase epitaxy at two different temperatures. For both samples, the ordering is induced by the…
Self-assembly processes in biological and synthetic biomolecular systems are often governed by the spatial separation of biochemical processes. While previous work has focused on optimizing self-assembly through fine-tuned reaction…
In phase transition dynamics involving symmetry breaking, topological defects can be spontaneously created but it is suppressed in a spatially inhomogeneous system due to the spreading of the ordered phase information. We demonstrate the…
We propose a multi-scale lung model to investigate spatio-temporal distributions of ventilation variables. Lung envelope and large airway geometries are derived from CT scans; smaller airways are generated using a physiologically consistent…