Search results for "physics.comp-ph"
showing 10 items of 115 documents
Quantum Monte Carlo simulations of antiferromagnetism in ultracold fermions on optical lattices within real-space dynamical mean-field theory
2010
We present a massively parallel quantum Monte Carlo based implementation of real-space dynamical mean-field theory for general inhomogeneous correlated fermionic lattice systems. As a first application, we study magnetic order in a binary mixture of repulsively interacting fermionic atoms harmonically trapped in an optical lattice. We explore temperature effects and establish signatures of the N\'{e}el transition in observables directly accessible in cold-atom experiments; entropy estimates are also provided. We demonstrate that the local density approximation (LDA) fails for ordered phases. In contrast, a "slab" approximation allows us to reach experimental system sizes with O(10^5) atoms …
Anisotropic interfacial tension, contact angles, and line tensions: A graphics-processing-unit-based Monte Carlo study of the Ising model
2014
As a generic example for crystals where the crystal-fluid interface tension depends on the orientation of the interface relative to the crystal lattice axes, the nearest neighbor Ising model on the simple cubic lattice is studied over a wide temperature range, both above and below the roughening transition temperature. Using a thin film geometry $L_x \times L_y \times L_z$ with periodic boundary conditions along the z-axis and two free $L_x \times L_y$ surfaces at which opposing surface fields $\pm H_{1}$ act, under conditions of partial wetting, a single planar interface inclined under a contact angle $\theta < \pi/2$ relative to the yz-plane is stabilized. In the y-direction, a generaliza…
Sensitivity to Initial Conditions in an Extended Activator--Inhibitor Model for the Formation of Patterns
2018
Despite simplicity, the synchronous cellular automaton [D.A. Young, Math. Biosci. 72, 51 (1984)] enables reconstructing basic features of patterns of skin. Our extended model allows studying the formatting of patterns and their temporal evolution also on the favourable and hostile environments. As a result, the impact of different types of an environment is accounted for the dynamics of patterns formation. The process is based on two diffusible morphogens, the short-range activator and the long-range inhibitor, produced by differentiated cells (DCs) represented as black pixels. For a neutral environment, the extended model reduces to the original one. However, even the reduced model is stat…
Locust: C++ software for simulation of RF detection
2019
The Locust simulation package is a new C++ software tool developed to simulate the measurement of time-varying electromagnetic fields using RF detection techniques. Modularity and flexibility allow for arbitrary input signals, while concurrently supporting tight integration with physics-based simulations as input. External signals driven by the Kassiopeia particle tracking package are discussed, demonstrating conditional feedback between Locust and Kassiopeia during software execution. An application of the simulation to the Project 8 experiment is described. Locust is publicly available at https://github.com/project8/locust_mc.
Numerical viscosity in simulations of the two-dimensional Kelvin-Helmholtz instability
2020
The Kelvin-Helmholtz instability serves as a simple, well-defined setup for assessing the accuracy of different numerical methods for solving the equations of hydrodynamics. We use it to extend our previous analysis of the convergence and the numerical dissipation in models of the propagation of waves and in the tearing-mode instability in magnetohydrodynamic models. To this end, we perform two-dimensional simulations with and without explicit physical viscosity at different resolutions. A comparison of the growth of the modes excited by our initial perturbations allows us to estimate the effective numerical viscosity of two spatial reconstruction schemes (fifth-order monotonicity preservin…
Brownian dynamics simulations with hard-body interactions: Spherical particles
2012
A novel approach to account for hard-body interactions in (overdamped) Brownian dynamics simulations is proposed for systems with non-vanishing force fields. The scheme exploits the analytically known transition probability for a Brownian particle on a one-dimensional half-line. The motion of a Brownian particle is decomposed into a component that is affected by hard-body interactions and into components that are unaffected. The hard-body interactions are incorporated by replacing the affected component of motion by the evolution on a half-line. It is discussed under which circumstances this approach is justified. In particular, the algorithm is developed and formulated for systems with spa…
Dynamical coexistence in moderately polydisperse hard-sphere glasses
2020
We perform extensive numerical simulations of a paradigmatic model glass former, the hard-sphere fluid with 10% polydispersity. We sample from the ensemble of trajectories with fixed observation time, whereby single trajectories are generated by event-driven molecular dynamics. We show that these trajectories can be characterized in terms of the local structure, and we find a dynamical-structural (active-inactive) phase transition between two dynamical phases: one dominated by liquidlike trajectories with a low degree of local order and one dominated by glassylike trajectories with a high degree of local order. We show that both phases coexist and are separated by a spatiotemporal interface…
Simulation of many-qubit quantum computation with matrix product states
2006
Matrix product states provide a natural entanglement basis to represent a quantum register and operate quantum gates on it. This scheme can be materialized to simulate a quantum adiabatic algorithm solving hard instances of a NP-Complete problem. Errors inherent to truncations of the exact action of interacting gates are controlled by the size of the matrices in the representation. The property of finding the right solution for an instance and the expected value of the energy are found to be remarkably robust against these errors. As a symbolic example, we simulate the algorithm solving a 100-qubit hard instance, that is, finding the correct product state out of ~ 10^30 possibilities. Accum…
Domain-wall excitations in the two-dimensional Ising spin glass
2018
The Ising spin glass in two dimensions exhibits rich behavior with subtle differences in the scaling for different coupling distributions. We use recently developed mappings to graph-theoretic problems together with highly efficient implementations of combinatorial optimization algorithms to determine exact ground states for systems on square lattices with up to $10\,000\times 10\,000$ spins. While these mappings only work for planar graphs, for example for systems with periodic boundary conditions in at most one direction, we suggest here an iterative windowing technique that allows one to determine ground states for fully periodic samples up to sizes similar to those for the open-periodic…
Generalized Langevin dynamics: construction and numerical integration of non-Markovian particle-based models.
2018
We propose a generalized Langevin dynamics (GLD) technique to construct non-Markovian particle-based coarse-grained models from fine-grained reference simulations and to efficiently integrate them. The proposed GLD model has the form of a discretized generalized Langevin equation with distance-dependent two-particle contributions to the self- and pair-memory kernels. The memory kernels are iteratively reconstructed from the dynamical correlation functions of an underlying fine-grained system. We develop a simulation algorithm for this class of non-Markovian models that scales linearly with the number of coarse-grained particles. Our GLD method is suitable for coarse-grained studies of syste…