arXiv subjects

S. C. Ying

Publications and source records attributed to S. C. Ying.

29 records · Page 2Linked to original sources

arXiv2002

Energetics and Vibrational States for Hydrogen on Pt(111)

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system.

cond-mat.stat-mech↗

arXiv2001

Quantum Diffusion of H/Ni(111) through the Monte Carlo Wave Function Formalism

We consider a quantum system coupled to a dissipative background with many degrees of freedom using the Monte Carlo Wave Function method. Instead of dealing with a density matrix which can be very high-dimensional, the method consists of integrating a stochastic Schrodinger equation with a non-hermitian damping term in the evolution operator, and with random quantum jumps. The method is applied to the diffusion of hydrogen on the Ni(111) surface below 100 K. We show that the recent experimental diffusion data for this system can be understood through an interband activation process, followed by quantum tunnelling.

quant-ph↗

arXiv2000

Transverse thermal depinning and nonlinear sliding friction of an adsorbed monolayer

We study the response of an adsorbed monolayer under a driving force as a model of sliding friction phenomena between two crystalline surfaces with a boundary lubrication layer. Using Langevin-dynamics simulation, we determine the nonlinear response in the direction transverse to a high symmetry direction along which the layer is already sliding. We find that below a finite transition temperature, there exist a critical depinning force and hysteresis effects in the transverse response in the dynamical state when the adlayer is sliding smoothly along the longitudinal direction.

cond-mat.stat-mech↗

arXiv2000

Anomalous Sliding Friction and Peak Effect near the Flux Lattice Melting Transition

Recent experiments have revealed a giant "peak effect" in ultrapure high $T_c$ superconductors. Moreover, the new data show that the peak effect coincides exactly with the melting transition of the underlying flux lattice. In this work, we show using dynamical scaling arguments that the friction due to the pinning centers acting on the flux lattice develops a singularity near a continuous phase transition and can diverge for many systems. The magnitude of the nonlinear sliding friction of the flux lattice scales with this atomistic friction. Thus, the nonlinear conductance should diverge for a true continuous transition in the flux lattice or peak at a weakly first order transition or for systems of finite size.

cond-mat.supr-con↗

arXiv2000

Dynamics near the Surface Reconstruction of W(100)

Using Brownian molecular dynamics simulation, we study the surface dynamics near the reconstruction transition of W(100) via a model Hamiltonian. Results for the softening and broadening of the surface phonon spectrum near the transition are compared with previous calculations and with He atom scattering data. From the critical behavior of the central peak in the dynamical structure factor, we also estimate the exponent of the power law anomaly for adatom diffusion near the transition temperature.

cond-mat.stat-mech↗

arXiv1998

Dynamical transitions and sliding friction in the two-dimensional Frenkel-Kontorova model

The nonlinear response of an adsorbed layer on a periodic substrate to an external force is studied via a two dimensional uniaxial Frenkel-Kontorova model. The nonequlibrium properties of the model are simulated by Brownian molecular dynamics. Dynamical phase transitions between pinned solid, sliding commensurate and incommensurate solids and hysteresis effects are found that are qualitatively similar to the results for a Lennard-Jones model, thus demonstrating the universal nature of these features.

cond-mat.stat-mech↗

arXiv1998

Dynamics of Chainlike Molecules on Surfaces

We consider the diffusion and spreading of chainlike molecules on solid surfaces. We first show that the steep spherical cap shape density profiles, observed in some submonolayer experiments on spreading polymer films, imply that the collective diffusion coefficient $D_C(θ)$ must be an increasing function of the surface coverage $θ$ for small and intermediate coverages. Through simulations of a discrete model of interacting chainlike molecules, we demonstrate that this is caused by an entropy-induced repulsive interaction. Excellent agreement is found between experimental and numerically obtained density profiles in this case, demonstrating that steep submonolayer film edges naturally arise due to the diffusive properties of chainlike molecules. When the entropic repulsion dominates over interchain attractions, $D_C(θ)$ first increases as a function of $θ$ but then eventually approaches zero for $θ\to 1$. The maximum value of $D_C(θ)$ decreases for increasing attractive interactions, leading to density profiles that are in between spherical cap and Gaussian shapes. We also develop an analytic mean field approach to explain the diffusive behavior of chainlike molecules. The thermodynamic factor in $D_C(θ)$ is evaluated using effective free energy arguments, and the chain mobility is calculated numerically using the recently developed dynamic mean field theory. Good agreement is obtained between theory and simulations.

cond-mat.soft↗

arXiv1997

Non-Arrhenius Behavior of Surface Diffusion Near a Phase Transition Boundary

We study the non-Arrhenius behavior of surface diffusion near the second-order phase transition boundary of an adsorbate layer. In contrast to expectations based on macroscopic thermodynamic effects, we show that this behavior can be related to the average microscopic jump rate which in turn is determined by the waiting-time distribution W(t) of single-particle jumps at short times. At long times, W(t) yields a barrier that corresponds to the rate-limiting step in diffusion. The microscopic information in W(t) should be accessible by STM measurements.

cond-mat.soft↗

arXiv1997

A Dynamical Mean Field Theory for the Study of Surface Diffusion Constants

We present a combined analytical and numerical approach based on the Mori projection operator formalism and Monte Carlo simulations to study surface diffusion within the lattice-gas model. In the present theory, the average jump rate and the susceptibility factor appearing are evaluated through Monte Carlo simulations, while the memory functions are approximated by the known results for a Langmuir gas model. This leads to a dynamical mean field theory (DMF) for collective diffusion, while approximate correlation effects beyond DMF are included for tracer diffusion. We apply our formalism to three very different strongly interacting systems and compare the results of the new approach with those of usual Monte Carlo simulations. We find that the combined approach works very well for collective diffusion, whereas for tracer diffusion the influence of interactions on the memory effects is more prominent.

cond-mat.soft↗

arXiv1996

Non-equilibrium surface diffusion in the O/W(110) system

In this Letter, we present results of an extensive Monte Carlo study of the O/W(110) system under non-equilibrium conditions. We study the mean square displacements and long wavelength density fluctuations of adatoms. From these quantities, we define effective and time-dependent values for the collective and tracer diffusion mobilities. These mobilities reduce to the usual diffusion constants when equilibrium is reached. We discuss our results in view of existing experimental measurements of effective diffusion barriers, and the difficulties associated with interpreting non-equilibrium data.

cond-mat↗

arXiv1995

Sliding Friction in the Frenkel-Kontorova Model

A two-dimensional \underline{Frenkel-Kontorova model} under a steady external force is used to study the nonlinear sliding friction between flat macroscopic surfaces with a lubricant layer in between. The nonequilibrium properties of the model are simulated by a Brownian molecular dynamics and results are obtained as a function of temperature and a microscopic friction parameter $η$.

cond-mat↗