相关论文: Evolutionary construction of formation energy conv…
The two-step backward differential formula (BDF2) with unequal time-steps is applied to construct an energy stable convex-splitting scheme for the Cahn-Hilliard model. We focus on the numerical influences of time-step variations by using…
We describe a mechanism that explains the formation of hydrocarbons and hydrocarbyls from hydrogenated graphene/graphite; hard C-C bonds are weakened and broken by the synergistic effect of chemisorbed hydrogen and high temperature…
Hydrogen is key in reducing greenhouse gas emissions in materials production. At the same time, it significantly affects mechanical properties, often causing unwanted embrittlement. However, rather than solely addressing these…
We explore the transport mechanisms of heat in two- and three-dimensional turbulent convection flows by means of the long-term evolution of Lagrangian coherent sets. They are obtained from the spectral clustering of trajectories of massless…
The Lithium-Boron Reactive Hydride Composite System (Li-RHC) (2 LiH + MgB$_{2}$ / 2 LiBH$_{4}$ + MgH$_{2}$) is a high-temperature hydrogen storage material suitable for energy storage applications. Herein, a comprehensive gas-solid kinetic…
In this paper, we offer large and realistic models of amorphous carbon spanning densities from 0.95 g/cm3 to 3.5 g/cm3 . The models are designed to agree as closely as possible with experimental diffraction data while simultaneously…
Any stellar system with a star formation history (SFH) more extended than a massive star's lifetime will be composite in metallicity. Our method of chemically consistent evolutionary synthesis tries to account for the increasing initial…
Using plasma-enhanced chemical vapor deposition (PECVD) with Acetylene and Ammoniac on Pd-specimens Carbon nanotubes (CNT) could be produced successfully. Two different devices are compared and the conditions for best growth conditions are…
In this degree work, a theoretical computational study on high entropy alloys (HEAs) was carried out. Two specific alloys were chosen for study, AlCoCrFeNi and TiVZrNbHf. The study was based on the parameters deduced from the Hume-Rothery…
Since the initial discovery of gravitational-waves from merging black holes, the LIGO Scientific Collaboration together with Virgo and KAGRA have published 90 gravitational-wave observations of compact binary mergers in the…
Using the molecular dynamics method, dynamics of hydrogen bond (HB) networks emerging on the surface of a graphene sheet during its functionalization with hydroxyl groups OH are simulated. It is demonstrated that two OH groups form an…
We present a new planetary structure/thermal evolution model, designed for use in problems that couple orbital dynamics with planetary structure. We first benchmark our structural/thermal evolution calculations against the \texttt{MESA}…
We present the first detailed three-dimensional hydrodynamic implicit large eddy simulations of turbulent convection for carbon burning. The simulations start with an initial radial profile mapped from a carbon burning shell within a 15…
Controlling polymorphism in molecular crystals is crucial in the pharmaceutical, dye, and pesticide industries. However, its theoretical description is extremely challenging, due to the associated long timescales ($ > 1 \, \mu s$). We…
This work describes the implementation of a genetic algorithm-based strategy combined with first-principles computations for identifying the structure of the most stable boron 1D structures. We focus our attention on the structure of…
Among massive stars, binary interaction is the rule rather than the exception. The closest binaries, those with periods of less than about 10 days, undergo mass transfer during core-hydrogen burning, with many of them experiencing a…
Planetesimal formation models often invoke the gravitational collapse of pebble clouds to overcome various barriers to grain growth and propose processes to concentrate particles sufficiently to trigger this collapse. On the other hand, the…
We have simulated 2.5$\times10^3$ s of the late evolution of a $23 \rm M_\odot$ star with full hydrodynamic behavior. We present the first simulations of a multiple-shell burning epoch, including the concurrent evolution and interaction of…
We study the convex hulls of trajectories of polynomial dynamical systems. Such trajectories include real algebraic curves. The boundaries of the resulting convex bodies are stratified into families of faces. We present numerical algorithms…
Most of hydrocarbons are either molecular structures or linear polymeric chains. Discovery of graphene and manufacturing of its monohydride -- graphane incite interest in search for three-dimensional hydrocarbon polymers. However up to now…