Rate dependence of crack-tip processes predicts twinning trends in f.c.c. metals
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Background: In this paper, we present a framework for improving the accuracy of fixed-step methods for Monte Carlo simulation of discrete stochastic chemical kinetics. Stochasticity is ubiquitous in many areas of cell biology, for example in gene regulatio ...
The recently developed traffic signal control strategy known as traffic-responsive urban control (TUC) requires availability of a fixed signal plan that is sufficiently efficient under undersaturated traffic conditions. To drop this requirement, the well-k ...
Submonolayer epitaxial growth is obtained by the deposition of less than a complete layer of atoms on a single crystal surface. It is of fundamental interest for industrial applications (e.g. in the semiconductor industry) as well as from the point of view ...
Density functional theory (DFT)-based Car-Parrinello molecular dynamics (CPMD) simulations describe the time evolution of molecular systems without resorting to a predefined potential energy surface. CPMD and hybrid molecular mechanics/CPMD schemes have re ...
Recently, a 3.65 angstrom resolution structure of the transporter, NorM from the multidrug and toxic compound extrusion family has been determined in the outward-facing conformation. This antiporter uses electrochemical gradients to drive substrate export ...
The properties of the cluster HenV, an iron vacancy with an increasing number of He atoms, is studied with molecular statics and molecular dynamics simulations. A study of the binding energy of the self-interstitial atom (SIA) and the He, shows that from n ...
Impurities are known to have a significant impact on materials properties. In particular, the presence of impurities can change mechanical properties and stabilize the microstructure by reducing grain growth and recrystallization processes. In the past ato ...
Atomistic simulations have provided much insight into grain boundary (GB) structures and mechanisms which are important in understanding the properties of materials. In this paper, the Sigma 3{1 1 2}, Sigma 3{1 1 1} and Sigma 5{0 1 3} (coincidence site lat ...
In global gyrokinetic simulations it takes a long time for the turbulence to reach a quasisteady state, and quantitative predictions about the quasisteady state turbulence have been difficult to obtain computationally. In particular, global particle-in-cel ...
Interest in plasmonic nanostructures has recently multiplied due to their extraordinary optical properties. When resonantly excited, these tiny metallic systems exhibit a strong and localized optical field enhancement. Applications exploiting this effect e ...
