Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Modeling time-resolved kinetics in solids induced by extreme electronic
  excitation   We present a concurrent Monte Carlo (MC) - molecular dynamics (MD) approach
to modeling of matter response to excitation of its electronic system. The two
methods are combined on-the-fly at each time step in one code, TREKIS-4. The MC
model describes arrival of irradiation, which in the current implementation can
consist of a photon, an electron, or a fast ion. It also traces induced
cascades of excitation of secondary particles, electrons and holes, and their
energy exchange with atoms due to scattering. The excited atomic system is
simulated with an MD model. We propose a simple and efficient way to account
for nonthermal effects in the electron-atom energy transfer in covalent
materials via conversion of potential energy of the ensemble into the kinetic
energy of atoms, which can be straightforwardly implemented into an MD
simulation. Such a combined MC-MD approach enables us time-resolved tracing of
the excitation kinetics of both, electronic and atomic systems, and their
simultaneous response to a deposited dose. As a proof-of-principle example, we
show that proposed method describes atomic dynamics after X-ray irradiation in
a good agreement with tight-binding MD, with much more affordable computational
demands. The new model also allows us to gain insights into behavior of the
atomic system during the energy deposition from a nonequilibrium electronic
system excited by an ion impact.

8
The categories of this paper are: hep-ex
7
The categories of this paper are: hep-th
27
The categories of this paper are: comp-gas
15
The categories of this paper are: nucl-ex
1
The categories of this paper are: cs
20
The categories of this paper are: acc-phys
32
The categories of this paper are: atom-ph
37
The categories of this paper are: supr-con
6
The categories of this paper are: astro-ph
35
The categories of this paper are: mtrl-th
2
The categories of this paper are: math
11
The categories of this paper are: hep-lat
9
The categories of this paper are: nlin
22
The categories of this paper are: chao-dyn
24
The categories of this paper are: dg-ga
12
The categories of this paper are: nucl-th