相关论文: Modelling the Pb release during Portland cement al…
The porous PLA foams potential for tissue engineering usage are prepared by a modified solvent casting/particulate leaching method with different crystallinity. Since in typical method the porogens are solved in the solution and flow with…
We address the important question of whether the newly discovered exoplanet, Proxima Centauri b (PCb), is capable of retaining an atmosphere over long periods of time. This is done by adapting a sophisticated multi-species MHD model…
Molecular dynamics using atomistic modeling is frequently used to unravel the mechanisms of macroion release from electrosprayed droplets. However, atomistic modeling is currently feasible for only the smallest window of droplet sizes…
This paper discusses a continuum approach to track the evolution of permeability in granular rocks by accounting for the combined effect of porosity changes, grain breakage and cement bond damage. To account for such a broad range of…
In this work, we address the issue of peaking of piezoelectric response at a particular composition in the morphotropic phase boundary (MPB) region of (Pb0.940Sr0.06)(ZrxTi1-x)O3 (PSZT) piezoelectric ceramics. We present results of…
We compare the predicted phase behaviour of lead (Pb) using three different interatomic potential models, including an embedded atom method (EAM), a modified embedded atom method (MEAM), and a neural network-based machine-learned model in…
Microscopy of polymer electrolyte membranes that have undergone operation under fuel cell conditions, have revealed a well defined band of platinum in the membrane. Here, we propose a physics based model that captures the mechanism of…
To study the cooling behavior and the glass transition of polymer melts in bulk and with free surfaces a coarse-grained weakly semi-flexible polymer model is developed. Based on a standard bead spring model with purely repulsive…
In this paper, we discuss critical aspects of the mechanisms and features of polymer proton exchange membrane (PEM) degradation in low-temperature H2/O2 fuel cell. In this paper, we focused on chemical mechanism of OH radical generation and…
Conservative and non-conservative phase-field models are considered for the numerical simulation of lateral phase separation and coarsening in biological membranes. An unfitted finite element method is devised for these models to allow for…
Ammoniation in metal borohydrides (MBs) with the form $\mathcal{M}$(BH$_4$)$_x$ has been shown to lower their decomposition temperatures with $\mathcal{M}$ of low electronegativity ($\chi_p \lesssim 1.6$), but raise it for high-$\chi_p$ MBs…
This study presents a computational framework to investigate and predict the complicated multiphase properties of eco-friendly lead-free piezoelectric materials, which are crucial for sustainable technological progress. Although their…
An analytical model of mechanical stress in a polymer electrolyte membrane (PEM) of a hydrogen/air fuel cell with porous Water Transfer Plates (WTP) is developed in this work. The model considers a mechanical stress in the membrane is a…
Atmospheric escape is thought to significantly influence the evolution of exoplanets, especially for sub-Jupiter planets on short orbital periods. Theoretical models predict that hydrodynamic escape could erode the atmospheres of such…
B_c meson production in Pb+Pb collisions at sqrt{s}=2.76 A TeV is surveyed in both a statistical coalescence model and a transport model. The nuclear modification factor R_{AA} is predicted to be between 2 and 18 in the most central…
We propose a heterogeneous reaction-diffusion model for the hydration and setting of cement. The model is based on diffusional ion transport and on cement specific chemical dissolution/precipitation reactions under spatial heterogeneous…
Phase separation of various materials has been studied for one and a half centuries. In the last two decades, phase separation of proteins and nucleic acids has received enormous attention, due its relevance to cellular functions. However,…
This letter is presenting a simple but effective mechanism that explains why ,during tritium aging, metal tritides retain most helium-3 for years and then suddenly release massive amount. The mechanism is based on the hypothesis that…
The early stiffening of fresh cement paste plays a key role in shaping and stability during casting and 3D printing. In Portland cement systems, this phenomenon arises from the formation of calcium-silicate-hydrate (C-S-H), which stiffens…
Biomolecular condensates are formed via liquid-liquid phase separation of proteins, often together with nucleic acids, typically driven by interactions between low-affinity binding sites. The computational study of such condensates that…