Related papers: Simulation of Heterogeneous Atom Probe Tip Shapes …
In this work we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching, surface recombination can dominate the…
Evaporation of multicomponent droplets is important in a wide range of applications, albeit complex, and requires a careful investigation. We experimentally and numerically investigate the evaporation characteristics of spherical,…
A hybrid sharp-interface immersed-boundary/front-tracking (IB/FT) method is developed for interface-resolved simulation of evaporating droplets in incompressible multiphase flows. A one-field formulation is used to solve the flow, species…
Atom probe tomography (APT) is extensively used to measure the local chemistry of materials. Site-specific preparation via a focused ion beam (FIB) is routinely implemented to fabricate needle-shaped specimens with an end radius in the…
Detecting topological order in cold-atom experiments is an ongoing challenge, the resolution of which offers novel perspectives on topological matter. In material systems, unambiguous signatures of topological order exist for topological…
Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…
A level-set method is developed for numerically capturing the equilibrium solute-solvent interface that is defined by the recently proposed variational implicit solvent model (Dzubiella, Swanson, and McCammon, Phys. Rev. Lett. {\bf 104},…
A novel finite element framework is proposed for the numerical simulation of two phase flows with surface tension. The Level-Set (LS) method with piece-wise quadratic (P2) interpolation for the liquid-gas interface is used in order to reach…
3D shape analysis has been largely focused on traditional 3D representations of point clouds and meshes, but the discrete nature of these data makes the analysis susceptible to variations in input resolutions. Recent development of neural…
Level set method, introduced by Osher and Sethian [1], is a highly robust and accurate computational technique for tracking of moving interfaces in etching, deposition and photolithography processes. It originates from the idea to view the…
This paper proposes a level set-based method for optimizing shell structures with large design changes in shape and topology. Conventional shell optimization methods, whether parametric or nonparametric, often only allow limited design…
Operando/in-situ liquid cell transmission electron microscopy (LCTEM) allows for real time imaging of dynamic nanoscale liquid-based processes. However, due to the thick liquid cell of traditional LCTEM holders and thus scattering of the…
We have recently proposed an atom probe design based on a femtosecond time-resolved pump-probe setup. This setup unlocks the limitation of voltage pulsed mode atom probe thanks to the occurrence of local photoconductive switching effect .…
We introduce a new generative model that combines latent diffusion with persistent homology to create 3D shapes with high diversity, with a special emphasis on their topological characteristics. Our method involves representing 3D shapes as…
The formation of microstructures in metallic alloys during hot metal forming involves simultaneous metallurgical complex phenomena. Traditional high-fidelity numerical frameworks used on the polycrystalline scale tend to focus on…
When a free-falling liquid droplet is hit by a laser it experiences a strong ablation driven pressure pulse. Here we study the resulting droplet deformation in the regime where the ablation pressure duration is short, i.e. comparable to the…
Atom probe tomography is frequently employed to characterize the elemental distribution in solids with atomic resolution. Here we review and discuss the potential of this technique to locally probe chemical bonds. Two processes characterize…
The steady-state homogeneous vapor-to-liquid nucleation and the succeeding liquid droplet growth process are studied for water system by means of the coarse-grained molecular dynamics simulations with the mW-model suggested originally in…
The two-phase thermodynamic (2PT) model {[}J. Chem. Phys., \textbf{119}, 11792 (2003){]} provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics (MD). In this model, the vibrational…
In numerous solution-processed thin films, a complex morphology resulting from liquid-liquid phase separation (LLPS) or from polycrystallization arises during the drying or subsequent processing steps. The morphology has a strong influence…