Related papers: Unconventional MBE Strategies from Computer Simula…
While diffusion models can learn complex distributions, sampling requires a computationally expensive iterative process. Existing distillation methods enable efficient sampling, but have notable limitations, such as performance degradation…
Here we present a structural study of pentacene (Pn) thin films on vicinal Ag(111) surfaces by He atom diffraction measurements and density functional theory (DFT) calculations supplemented with van der Waals (vdW) interactions. Our He atom…
As an organic semiconductor and a prototypical acceptor molecule in organic photovoltaics, C$_{60}$ has broad relevance to the world of organic thin film electronics. Although highly uniform C$_{60}$ thin films are necessary to conduct…
Learning-based methods have dominated the 3D human pose estimation (HPE) tasks with significantly better performance in most benchmarks than traditional optimization-based methods. Nonetheless, 3D HPE in the wild is still the biggest…
The growth of magnesium on ruthenium has been studied by low-energy electron microscopy (LEEM) and scanning tunneling microscopy (STM). In LEEM, a layer-by-layer growth is observed except in the first monolayer, where the completion of the…
We present a formalism to derive the stochastic differential equations (SDEs) for several solid-on-solid growth models. Our formalism begins with a mapping of the microscopic dynamics of growth models onto the particle systems with…
Molecular beam epitaxy enables the growth of thin film materials with novel properties and functionalities. Typically, the lattice constants of films and substrates are designed to match to minimise disorders and strains. However,…
Molecular beam epitaxy of Fe3Si on GaAs(001) is studied in situ by grazing incidence x-ray diffraction. Layer-by-layer growth of Fe3Si films is observed at a low growth rate and substrate temperatures near 200 degrees Celsius. A damping of…
In a combined experimental and theoretical study, we investigate the influence of the material source arrangement in a molecular beam epitaxy (MBE) system on the growth of nanowire (NW) core-shell structures. In particular, we study the…
Pore-scale simulations accurately describe transport properties of fluids in the subsurface. These simulations enhance our understanding of applications such as assessing hydrogen storage efficiency and forecasting CO$_2$ sequestration…
Among superconductor/semiconductor hybrid structures, in-situ aluminum (Al) grown on InGaAs/InAs is widely pursued for the experimental realization of Majorana Zero Mode quasiparticles. This is due to the high carrier mobility, low…
Smooth interfaces and surfaces are beneficial for most (opto)electronic devices based on thin films and their heterostructures. For example, smoother interfaces in (010) beta-Ga2O3/(AlxGa1-x)2O3 heterostructures, whose roughness is ruled by…
In this paper, we study phase diagrams of the extended Bose-Hubbard model (EBHM) in one dimension by means of the quantum Monte-Carlo (QMC) simulation using the stochastic-series expansion (SSE).In the EBHM, there exists a nearest-neighbor…
We present a novel hybrid computational method to simulate accurately dendritic solidification in the low undercooling limit where the dendrite tip radius is one or more orders of magnitude smaller than the characteristic spatial scale of…
The smooth particle mesh Ewald (SPME) method is the standard method for computing the electrostatic interactions in the molecular simulations. In this work, the multiple staggered mesh Ewald (MSME) method is proposed to boost the accuracy…
The naturally existing chalcogenide Bi2Se3 is topologically nontrivial due to the band inversion caused by strong spin-orbit coupling inside the bulk of the material. The surface states are spin polarized, protected by the time-inversion…
We report the results of computer simulations of epitaxial growth in the presence of a large Schwoebel barrier on different crystal surfaces: simple cubic(001), bcc(001), simple hexagonal(001) and hcp(001). We find, that mounds coarse by a…
A three-step process was developed for growing high-quality, optically uniform WSe2 monolayers by molecular beam epitaxy (MBE) with advantage of using hexagonal boron nitride (hBN). The process was optimized to maximize the efficiency of…
A novel space-discretized Finite Differences-based model reduction, introduced in (Liu,Guo,2020) is extended to the partial differential equations (PDE) model of a multi-layer Mead-Marcus-type sandwich beam with clamped-free boundary…
Purpose: Stimulated echo acquisition mode (STEAM) diffusion MRI can be advantageous over pulsed-gradient spin-echo (PGSE) for diffusion times that are long compared to $\ttwo$. It is important therefore for biomedical diffusion imaging…