相关论文: Molecular dynamics at an energy-level crossing

In this contribution we start by proving and generalizing a conjecture that has been established few decades ago, relating the value of the integral of the detachment/attachment density in two pictures - one accounting for…

We study alchemical atomic energy partitioning as a method to estimate atomisation energies from atomic contributions which are defined in physically rigorous and general ways through use of the uniform electron gas as a joint reference. We…

Recently, a simple non-interacting-electron model, combining local quantum tunneling via quantum point contacts and global classical percolation, has been introduced in order to describe the observed ``metal-insulator transition'' in two…

Starting from a classical mechanics of a ``colloid particle'' and $N$ ``water molecules'', we study effective stochastic dynamics of the particle which jumps between deep potential wells. We prove that the effective transition probability…

One-dimensional model of a system where first-order phase transition occurs is examined in the present paper. It is shown that basic properties of the phenomenon, such as a well defined temperature of transition, are caused both by…

Observing quantum phase transitions in mesoscopic systems is a daunting task, thwarted by the difficulty of experimentally varying the magnetic interactions, the typical driving force behind these phase transitions. Here we demonstrate that…

We investigate non-Markovian barrier-crossing kinetics of a massive particle in one dimension in the presence of a memory function that is the sum of two exponentials with different memory times $\tau_1$ and $\tau_2$. Our Langevin…

Understanding the thermodynamics of the duplication process is a fundamental step towards a comprehensive physical theory of biological systems. However, the immense complexity of real cells obscures the fundamental tensions between energy…

Plasmas in which there is a threshold for a dominant reaction to take place (such as recombination or attachment) will have particle distributions that evolve as the reaction progresses. The form of the Boltzmann collision term in such a…

There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be…

Thermal escape out of a metastable well is considered in the weak friction regime, where the bottleneck for decay is energy diffusion, and at lower temperatures, where quantum tunneling becomes relevant. Within a systematic semiclassical…

The time evolution of the buildup process inside a double-barrier system for off-resonance incidence energies is studied by considering the analytic solution of the time dependent Schr\"{o}dinger equation with cutoff plane wave initial…

Equations of state for hydrogen bonding fluids are typically described by two energy scales. A short range highly directional hydrogen bond energy scale, as well as a reference energy scale which accounts for dispersion and orientationally…

We derive a general formula for the early time dependence of a phase space distribution evolving according to the kinetic Boltzmann equation. Assuming that the early evolution of the system created in high-energy nuclear collisions can be…

We study the quantum phase transitions of a model that describes the interconversion of interacting bosonic atoms and molecules. Using a classical analysis, we identify a threshold coupling line separating a molecular phase and a mixed…

Using a model comprising a 2-level bridge connecting free electron reservoirs we show that coupling of a molecular bridge to electron-hole excitations in the leads can markedly effect the source-drain current through a molecular junction.In…

Phase separation plays an role in determining the self-assembly of biological and soft-matter systems. In biological systems, liquid-liquid phase separation inside a cell leads to the formation of various macromolecular aggregates. The…

We investigate the global persistence properties of critical systems relaxing from an initial state with non-vanishing value of the order parameter (e.g., the magnetization in the Ising model). The persistence probability of the global…

We present an exact derivation of the survival probability of a randomly accelerated particle subject to partial absorption at the origin. We determine the persistence exponent and the amplitude associated to the decay of the survival…

Intercellular exchange networks are essential for the adaptive capabilities of populations of cells. While diffusional exchanges have traditionally been difficult to map, recent advances in nanotechnology enable precise probing of exchange…