arXiv subjects

Jeffrey Kelling

Publications and source records attributed to Jeffrey Kelling.

25 records · Page 2Linked to original sources

arXiv2017

Elastic and Piezoresistive Properties of Nickel Carbides from First-Principles

The nickel--carbon system has received increased attention over the past years due to the relevance of nickel as a catalyst for carbon nanotube and graphene growth, where Nickel carbide intermediates may be involved or carbide interface layers form in the end. Nickel--carbon composite thin films comprising Ni$_3$C are especially interesting in mechanical sensing applications. Due to the meta-stability of nickel carbides, formation conditions and the coupling between mechanical and electrical properties are not yet well understood. Using first-principles electronic structure methods, we calculated the elastic properties of Ni$_3$C, Ni$_2$C and NiC, as well as changes in electronic properties under mechanical strain. We observe that the electronic density of states around the Fermi level does not change under the considered strains of up to 1%, which correspond to stresses up to 3GPa. Relative changes in conductivity of Ni$_3$C range up to maximum values of about 10%.

cond-mat.mtrl-sci↗

arXiv2016

Universality of (2+1)-dimensional restricted solid-on-solid models

Extensive dynamical simulations of Restricted Solid on Solid models in $D=2+1$ dimensions have been done using parallel multisurface algorithms implemented on graphics cards. Numerical evidence is presented that these models exhibit KPZ surface growth scaling, irrespective of the step heights $N$. We show that by increasing $N$ the corrections to scaling increase, thus smaller step-sized models describe better the asymptotic, long-wave-scaling behavior.

cond-mat.stat-mech↗

arXiv2016

Bit-Vectorized GPU Implementation of a Stochastic Cellular Automaton Model for Surface Growth

Stochastic surface growth models aid in studying properties of universality classes like the Kardar--Paris--Zhang class. High precision results obtained from large scale computational studies can be transferred to many physical systems. Many properties, such as roughening and some two-time functions can be studied using stochastic cellular automaton (SCA) variants of stochastic models. Here we present a highly efficient SCA implementation of a surface growth model capable of simulating billions of lattice sites on a single GPU. We also provide insight into cases requiring arbitrary random probabilities which are not accessible through bit-vectorization.

cs.DC↗

arXiv2014

Ageing of the 2+1 dimensional Kardar-Parisi-Zhang model

Extended dynamical simulations have been performed on a 2+1 dimensional driven dimer lattice gas model to estimate ageing properties. The auto-correlation and the auto-response functions are determined and the corresponding scaling exponents are tabulated. Since this model can be mapped onto the 2+1 dimensional Kardar-Parisi-Zhang surface growth model, our results contribute to the understanding of the universality class of that basic system.

cond-mat.stat-mech↗

arXiv2012

Comparison of Different Parallel Implementations of the 2+1-Dimensional KPZ Model and the 3-Dimensional KMC Model

We show that efficient simulations of the Kardar-Parisi-Zhang interface growth in 2 + 1 dimensions and of the 3-dimensional Kinetic Monte Carlo of thermally activated diffusion can be realized both on GPUs and modern CPUs. In this article we present results of different implementations on GPUs using CUDA and OpenCL and also on CPUs using OpenCL and MPI. We investigate the runtime and scaling behavior on different architectures to find optimal solutions for solving current simulation problems in the field of statistical physics and materials science.

cs.DC↗

arXiv2012

Extremely large scale simulation of a Kardar-Parisi-Zhang model using graphics cards

The octahedron model introduced recently has been implemented onto graphics cards, which permits extremely large scale simulations via binary lattice gases and bit coded algorithms. We confirm scaling behaviour belonging to the 2d Kardar-Parisi-Zhang universality class and find a surface growth exponent: beta=0.2415(15) on 2^17 x 2^17 systems, ruling out beta=1/4 suggested by field theory. The maximum speed-up with respect to a single CPU is 240. The steady state has been analysed by finite size scaling and a growth exponent alpha=0.393(4) is found. Correction to scaling exponents are computed and the power-spectrum density of the steady state is determined. We calculate the universal scaling functions, cumulants and show that the limit distribution can be obtained by the sizes considered. We provide numerical fitting for the small and large tail behaviour of the steady state scaling function of the interface width.

cond-mat.stat-mech↗

arXiv2011

Ripples and dots generated by lattice gases

We show that the emergence of different surface patterns (ripples, dots) can be well understood by a suitable mapping onto the simplest nonequilibrium lattice gases and cellular automata.Using this efficient approach difficult, unanswered questions of surface growth and its scaling can be studied. The mapping onto binary variables facilitates effective simulations and enables one to consider very large system sizes.We have confirmed that the fundamental Kardar-Parisi-Zhang (KPZ) universality class is stable against a competing roughening diffusion,while a strong smoothing diffusion leads to logarithmic growth, a mean-field type behavior in two dimensions.The model can also describe anisotropic surface diffusion processes effectively. By analyzing the time-dependent structure factor we give numerical estimates for the wavelength coarsening behavior.

cond-mat.stat-mech↗