Related papers: Nucleation rates from small scale atomistic simula…
One possible way in which phase transitions in the early universe may have ocurred is via nucleation of bubbles of the new phase (true vacuum) in the old phase (false vacuum). The technique most widely used to compute the probability of…
Understanding the dynamics of equilibration processes in quantum systems as well as their interplay with dissipation and fluctuation is a major challenge in quantum many-body theory. The timescales of such processes are investigated in…
We present in this letter a model of glass formation using energy barriers and a crystal nucleation process. We then analyze the corresponding dynamical equation in the vicinity of the stationary solutions. The occurence of a pure amorphous…
A massively parallel method to build large transition rate matrices from temperature accelerated molecular dynamics trajectories is presented. Bayesian Markov model analysis is used to estimate the expected residence time in the known state…
Fluctuations of dynamical quantities are fundamental and inevitable. For the booming research in nanotechnology, huge relative fluctuation comes with the reduction of system size, leading to large uncertainty for the estimates of dynamical…
The framework of transition state theory (TST) provides a powerful way for analyzing the dynamics of physical and chemical reactions. While TST has already been successfully used to obtain reaction rates for systems with a single…
We use the random phase approximation to systematically describe the total muon capture rates on all nuclei where they have been measured. We reproduce the experimental values on these nuclei to better than 15% accuracy using the free…
We calculate the bubble nucleation rate in a fourth-order gravity theory whose action contains an $R^2$ term, under the thin-wall approximation, by two different methods. First the bounce solution is found for the Euclidean version of the…
Understanding molecular structure, dynamics, and reactivity requires bridging processes that occur across widely separated time scales. Conventional molecular dynamics simulations provide atomistic resolution, but their femtosecond time…
Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments employ the classical…
Prediction of nucleation rates in first order phase transitions requires the knowledge of the barrier associated to the free energy profile $W$. Molecular simulations offer a direct route through $W = -kT \ln p_a$, where $k$ is Boltzmann's…
The periodic bounce configurations responsible for quantum tunneling are obtained explicitly and are extended to the finite energy case for minisuperspace models of the Universe. As a common feature of the tunneling models at finite energy…
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…
The key problem of statistical physics standing over one hundred years is how to exactly calculate the partition function (or free energy) of many-body interaction systems, which severely hinders application of the theory for realistic…
We introduce a simple zero-range process with constant rates and one fast rate for a particular occupation number, which diverges with the system size. Surprisingly, this minor modification induces a condensation transition in the…
Under certain conditions, the dynamics of coarse-grained models of solvated proteins can be described using a Markov state model, which tracks the evolution of populations of configurations. The transition rates among states that appear in…
We address problems arising in supersaturated systems of small atomic particles in solids. Nucleation processes in such systems do not seem to follow the classical interpretation but may be indicative of quantal nucleation partucularly at…
Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…
A study is made of nuclear size corrections to the energy levels of single-electron atoms for the ground state of hydrogen like atoms. We consider Fermi charge distribution to the nucleus and calculate atomic energy level shift due to the…
We tabulate the atomic mass excesses and nuclear ground-state deformations of 8979 nuclei ranging from $^{16}$O to $A=339$. The calculations are based on the finite-range droplet macroscopic model and the folded-Yukawa single-particle…