The Landau–Lifshitz equation in atomistic models
نویسندگان
چکیده
منابع مشابه
Atomistic-Level Models
Understanding the speciation of mercury throughout the coal-combustion process is crucial to the design of efficient and effective mercury removal technologies. Mercury oxidation takes place through combined homogeneous (i.e., strictly in the gas phase) and heterogeneous (i.e., gas–surface interactions) pathways. Both bench-scale combustion experiments [1] and quantumchemistry-based theoretical...
متن کاملModels of defects in atomistic systems
this discrete model can be approximated by a continuous energy defined on special functions with bounded variation. In fact, if we limit the interactions in the sum to the nearest neighbors in the portion of εZ contained in some fixed Ω, and we interpret the values ui as the discretization of a function defined in Ω, then these energies can be studied using the methods of Γ-convergence, and the...
متن کاملWater wires in atomistic models of the Hv1 proton channel.
The voltage-gated proton channel (Hv1) is homologous to the voltage-sensing domain (VSD) of voltage-gated potassium (Kv) channels but lacks a separate pore domain. The Hv1 monomer has dual functions: it gates the proton current and also serves as the proton conduction pathway. To gain insight into the structure and dynamics of the yet unresolved proton permeation pathway, we performed all-atom ...
متن کاملAtomistic Models for Nanotube Device Electrostatics
A quantum capacitance is calculated for a single wall carbon nan otube in a eld e ect device The calculation is performed on a base of a continuum model taking into account full microscopics A general ex pression for the atomistic capacitance of a nanotube of arbitrary shape is derived The result is useful for modeling of electromechanical action of a nanotube device and for nanotube electronic...
متن کاملA temperature equation for coupled atomistic/continuum simulations
We present a simple method for calculating a continuum temperature field directly from a molecular dynamics (MD) simulation. Using the idea of a projection matrix previously developed for use in the bridging scale, we derive a continuum temperature equation which only requires information that is readily available from MD simulations, namely the MD velocity, atomic masses and Boltzmann constant...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Low Temperature Physics
سال: 2015
ISSN: 1063-777X,1090-6517
DOI: 10.1063/1.4930971