Related papers: Nonequilibrium effects in DNA microarrays: a multi…
Recent experiments indicate that electromagnetic hysteresis behavior can be exhibited at the molecular level.A MD simulation using 2-body potentials and switches to form and break bonds is implemented to determine whether chemical reaction…
It is often incorrectly assumed that the number of microstates \Omega (E,V,N,...) available to an isolated system can have arbitrary dependence on the extensive variables E,V,N, .... However, this is not the case for natural systems which…
In this study, we advance the understanding of non-equilibrium systems by deriving thermodynamic relations for a heat engine operating under an exponentially decreasing temperature profile. Such thermal configurations closely mimic…
We present a comprehensive investigation of nonequilibrium effects and self heating in single electron transfer devices based primarily on the Coulomb blockade effect. During an electron trapping process, a hot electron may be deposited in…
We combine the swap Monte Carlo algorithm to long multi-CPU molecular dynamics simulations to analyse the equilibrium relaxation dynamics of model supercooled liquids over a time window covering ten orders of magnitude for temperatures down…
We examine the long-term behaviour of non-integrable, energy-conserved, 1D systems of macroscopic grains interacting via a contact-only generalized Hertz potential and held between stationary walls. We previously showed that in homogeneous…
Microscopic calculations of central collisions between heavy nuclei are used to study fragment production and the creation of collective flow. It is shown that the final phase space distributions are compatible with the expectations from a…
We investigate laser induced nonsequential multiple ionization using a simple statistical model in which an electron recollides inelastically with its parent ion. In this collision, it thermalizes with the remaining $N-1$ bound electrons…
We introduce a sequence-dependent parametrization for a coarse-grained DNA model [T. E. Ouldridge, A. A. Louis, and J. P. K. Doye, J. Chem. Phys. 134, 085101 (2011)] originally designed to reproduce the properties of DNA molecules with…
In this paper we introduce a method to resolve transient excitations in time-frequency space from molecular dynamics simulations. Our technique is based on continuous wavelet transform of velocity time series coupled to a…
We calculate the real time non-equilibrium dynamics of quantum spin systems at finite temperatures. The mathematical framework originates from the $C^*$-approach to quantum statistical mechanics and is applied to samples investigated by…
The equilibration of sinusoidally modulated distribution of the kinetic temperature is analyzed in the $\beta$-Fermi-Pasta-Ulam-Tsingou chain with different degrees of nonlinearity and for different wavelengths of temperature modulation.…
We consider an isolated point defect embedded in a homogeneous crystalline solid. We show that, in the harmonic approximation, a periodic supercell approximation of the formation free energy as well as of the transition rate between two…
Non-equilibrium time evolution in isolated many-body quantum systems generally results in thermalization. However, the relaxation process can be very slow, and quasi-stationary non-thermal plateaux are often observed at intermediate times.…
The dynamics of quantum entanglement plays a central role in explaining the emergence of thermal equilibrium in isolated many-body systems. However, entanglement is notoriously hard to measure. Recent works have introduced a notion of…
The Zeroth Law of Thermodynamics states that if two systems are in thermal equilibrium with a third one, then they are also in equilibrium with each other. This study explores not only the final state of thermal equilibrium between ideal…
This paper presents an updated framework for studying the ionizing conditions and elemental abundances of photoionized, metal-enriched quasar absorption systems. The standard assumption of ionization equilibrium invoked in absorption line…
Ultrafast laser radiation or beams of fast charged particles primarily excite the electronic system of a solid driving the target transiently out of thermal equilibrium. Apart from the nonequilibrium between the electrons and atoms, each…
We suggest that the thermodynamic stability parameters (nearest neighbor stacking and hydrogen bonding free energies) of double-stranded DNA molecules can be inferred reliably from time series of the size fluctuations (breathing) of local…
Non-equilibrium states of a thermodynamic statistical system are investigated using the thermodynamic parameter of the system lifetime, first-passage time, the time before degeneration of the system under influence of fluctuations.…