相关论文: Computational model for the formation of uniform s…
Contemporary powder-based polycrystalline nickel-base superalloys inherit microstructures and properties that are heavily determined by the thermo-mechanical treatments during processing. Here, the influence of a thermal exposure alone to…
The formation of regular precipitate stripes in the wake of moving chemical reaction-diffusion fronts is investigated. Experiments on the $NaOH+CuCl_2$ reaction in PVA hydrogel yield stripes parallel or slightly oblique to the front that…
This paper is devoted to studying the recrystallization of 100 nm thick polycrystalline films of copper and silver. It is found that in copper films deposited by the thermal evaporation method onto a substrate at room temperature, a bimodal…
We investigate the response of the star formation efficiency (SFE) to the main parameters of simulations of molecular cloud formation by the collision of warm diffuse medium (WNM) cylindrical streams, neglecting stellar feedback and…
The accurate treatment of electronic effects in multi-million atom simulations of radiation-induced collision cascades is crucial for reliable predictions of primary radiation damage. In this work, we explore the performance of a recently…
We reveal an unreported physical mechanism that enables the pre-concentration, sorting and characterization of charged polystyrene nanobeads and liposomes dispersed in a continuous flow within a straight micron-sized channel. Initially, a…
Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…
Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-body methods should be offering deep insights into these…
We present numerical simulations to describe the evolution of pre-Galactic clouds in a model which is motivated by cold dark matter simulations of hierarchical galaxy formation. We adopt a SN-induced star-formation mechanism within a model…
We computed the self-organisation process of a monodisperse collection of spherical micrometric particles trapped in a two-dimensional (2D) thin liquid film isothermally dried on a chemically inert substrate. The substrate is either flat or…
Studies of random organization models of monodisperse spherical particles have shown that a hyperuniform state is achievable when the system goes through an absorbing phase transition to a critical state. Here we investigate to what extent…
Combining three numerical methods (forward flux sampling, seeding of droplets, and finite size droplets), we probe the crystallization of hard spheres over the full range from close to coexistence to the spinodal regime. We show that all…
The plasmonic response of nanoparticles is exploited in many subfields of science and engineering to enhance optical signals associated with probes of nanoscale and subnanoscale entities. We develop a numerical algorithm based on previous…
The usefulness of semi-analytical thermal models for predicting the connection between process, microstructure and properties in powder bed fusion has been well illustrated in recent years. Such an approach provides the promise of accuracy…
The shape of metal nanoparticles embedded in dielectric matrices influences the optical properties of the composite material. Swift heavy ion irradiation can induce a controllable shape transformation in gold and other metals embedded in…
A scattering model is developed for ultracold molecular collisions, which allows inelastic processes, chemical reactions, and complex formation to be treated in a unified way. All these scattering processes and various combinations of them…
The first and maybe the most important step in designing a model-based predictive controller is to develop a model that is as accurate as possible and that is valid under a wide range of operating conditions. The sugar boiling process is a…
As a model for a suspension of hard-sphere like colloidal particles where small nonadsorbing dissolved polymers create a depletion attraction, we introduce an effective colloid-colloid potential closely related to the Asakura-Oosawa model…
This work addresses the two great challenges of the spark plasma sintering (SPS) process: the sintering of complex shapes and the simultaneous production of multiple parts. A new controllable interface method is employed to concurrently…
The paper concerns the nanopowder high-speed, $10^4$ - $10^9$ s${}^{-1}$, compaction processes modeling by a two-dimensional granular dynamics method. Nanoparticles interaction, in addition to known contact laws, included dispersive…