Modeling adsorption and order formation by colloidal particles on a solid surface: A Brownian dynamics study

A three-dimensional simulation model for colloidal dispersion system with an adsorptive surface under a specified bulk concentration was developed basing on the Brownian dynamics technique, and the adsorption process of electrostatically stabilized colloidal particles with radius of 50 nm onto a planar surface with counter charge was simulated. The particle-particle and particle-surface interactions were modeled on the DLVO theory. The adsorbed particles are found to form hexagonally ordered array, only if the surface coverage is above a certain threshold, which varies depending on the ionic strength or the interaction potentials. Through the analysis of the ordered structure, we found that the determinant factor for the order formation is “one-directional average force” acting between adsorbed particles, which exhibits a common value regardless of the ionic strength. Also, looking at the last process for establishing the order, we developed a model that can predict the potential barrier for the order formation. Further, the order formation was proven to be a stochastic phenomenon, and a model to describe the probability against time was developed and its quantitative validity was demonstrated.     

Particle-in-Cell algorithms for emerging computer architectures

We have designed Particle-in-Cell algorithms for emerging architectures. These algorithms share a common approach, using fine-grained tiles, but different implementations depending on the architecture. On the GPU, there were two different implementations, one with atomic operations and one with no data collisions, using CUDA C and Fortran. Speedups up to about 50 compared to a single core of the Intel i7 processor have been achieved. There was also an implementation for traditional multi-core processors using OpenMP which achieved high parallel efficiency. We believe that this approach should work for other emerging designs such as Intel Phi coprocessor from the Intel MIC architecture.     

CUDA programs for the GPU computing of the Swendsen–Wang multi-cluster spin flip algorithm: 2D and 3D Ising,Potts, and XY models

We present sample CUDA programs for the GPU computing of the Swendsen–Wang multi-cluster spin flip algorithm. We deal with the classical spin models; the Ising model, the q$q$-state Potts model, and the classical XY model. As for the lattice, both the 2D (square) lattice and the 3D (simple cubic) lattice are treated. We already reported the idea of the GPU implementation for 2D models (Komura and Okabe, 2012). We here explain the details of sample programs, and discuss the performance of the present GPU implementation for the 3D Ising and XY models. We also show the calculated results of the moment ratio for these models, and discuss phase transitions.     

GPU accelerated online multi-particle beam dynamics simulator for ion linear particle accelerators

An online beam dynamics simulator is being developed for use in the operation of an ion linear particle accelerator. By employing Graphics Processing Unit (GPU) technology, the performance of the simulator has been significantly increased over that of a single CPU and is therefore viable in the demanding accelerator operations environment. Once connected to the accelerator control system, it can rapidly respond to any control set point changes and predict beam properties along an ion linear accelerator in pseudo-real time. This simulator will be a virtual beam diagnostic tool which is especially useful when direct beam measurements are not available. Details about the code structure design, physics algorithms, GPU implementations, and performance are presented.     

Molecular dynamics for long-range interacting systems on graphic processing units

We present implementations of the numerical integration of systems with long-range interactions on graphic processing units for three N$N$-body models with long-range interactions of general interest: the Hamiltonian Mean Field, Ring and two-dimensional self-gravitating models. We discuss the algorithms, speedups and errors using one and two GPU units. Speedups can be as high as 140 compared to a serial code, and the overall relative error in the total energy is of the same order of magnitude as for the CPU code. The number of particles used in the tests range from 10,000 to 50,000,000 depending on the model.     

An analysis method for atomistic abrasion simulations featuring rough surfaces and multiple abrasive particles

We present a molecular dynamics (MD) model system to quantitatively study nanoscopic wear of rough surfaces under two-body and three-body contact conditions with multiple abrasive particles. We describe how to generate a surface with a pseudo-random Gaussian topography which is periodically replicable, and we discuss the constraints on the abrasive particles that lead to certain wear conditions. We propose a post-processing scheme which, based on advection velocity, dynamically identifies the atoms in the simulation as either part of a wear particle, the substrate, or the sheared zone in-between. This scheme is then justified from a crystallographic order point of view. We apply a distance-based contact zone identification scheme and outline a clustering algorithm which can associate each contact atom with the abrasive particle causing the respective contact zone. Finally, we show how the knowledge of each atom’s zone affiliation and a time-resolved evaluation of the substrate topography leads to a break-down of the asperity volume reduction into its components: the pit fill-up volume, the individual wear particles, the shear zone, and the sub-surface substrate compression. As an example, we analyze the time and pressure dependence of the wear volume contributions for two-body and three-body wear processes of a rough iron surface with rigid spherical and cubic abrasive particles.     

GPELab,a Matlab toolbox to solve Gross–Pitaevskii equations I: Computation of stationary solutions

This paper presents GPELab (Gross–Pitaevskii Equation Laboratory), an advanced easy-to-use and flexible Matlab toolbox for numerically simulating many complex physics situations related to Bose–Einstein condensation. The model equation that GPELab solves is the Gross–Pitaevskii equation. The aim of this first part is to present the physical problems and the robust and accurate numerical schemes that are implemented for computing stationary solutions, to show a few computational examples and to explain how the basic GPELab functions work. Problems that can be solved include: 1d, 2d and 3d situations, general potentials, large classes of local and nonlocal nonlinearities, multi-components problems, and fast rotating gases. The toolbox is developed in such a way that other physics applications that require the numerical solution of general Schrödinger-type equations can be considered.     

The effects of individual differences,prior experience and cognitive load on the transfer of dynamic decision-making performance

Situational awareness is recognised as an important factor in the performance of individuals and teams in dynamic decision-making (DDM) environments (Salmon et al. 2014 Salmon, P. M., N. A.Stanton, G. H.Walker, D.Jenkins, D.Ladva, L.Rafferty, and M.Young. 2014. “Measuring SA in Complex Systems: Comparison of Measurement Study.” International Journal of Industrial Ergonomics39: 490–500.[Crossref], [Web of Science ®] , [Google Scholar]). The present study was designed to investigate whether the scores on the WOMBAT? Situational Awareness and Stress Tolerance Test (Roscoe and North 1980 Roscoe, S. N., and R.North. 1980. “Prediction of Pilot Performance.” In Aviation Psychology, edited by S. N.Roscoe, 123–127. Ames: The Iowa State University Press. [Google Scholar]) would predict the transfer of DDM performance from training under different levels of cognitive load to a novel situation. Participants practised a simulated firefighting task under either low or high conditions of cognitive load and then performed a (transfer) test in an alternative firefighting environment under an intermediate level of cognitive load. WOMBAT? test scores were a better predictor of DDM performance than scores on the Raven Matrices. Participants with high WOMBAT? scores performed better regardless of their training condition. Participants with recent gaming experience who practised under low cognitive load showed better practice phase performance but worse transfer performance than those who practised under high cognitive load.

Practitioner Summary: The relationship between task experience, situational awareness ability, cognitive load and the transfer of dynamic decision-making (DDM) performance was investigated. Results showed that the WOMBAT? test predicted transfer of DDM performance regardless of task cognitive load. The effects of cognitive load on performance varied according to previous task-relevant experience.     

Gerontechnology acceptance by elderly Hong Kong Chinese: a senior technology acceptance model (STAM)

The purpose of this study was to develop and test a senior technology acceptance model (STAM) aimed at understanding the acceptance of gerontechnology by older Hong Kong Chinese people. The proposed STAM extended previous technology acceptance models and theories by adding age-related health and ability characteristics of older people. The proposed STAM was empirically tested using a cross-sectional questionnaire survey with a sample of 1012 seniors aged 55 and over in Hong Kong. The result showed that STAM was strongly supported and could explain 68% of the variance in the use of gerontechnology. For older Hong Kong Chinese, individual attributes, which include age, gender, education, gerontechnology self-efficacy and anxiety, and health and ability characteristics, as well as facilitating conditions explicitly and directly affected technology acceptance. These were better predictors of gerontechnology usage behaviour (UB) than the conventionally used attitudinal factors (usefulness and ease of use).

Practitioner Summary: Previous studies have not given much consideration to age-related health and associated abilities when examining acceptance of technology by the ageing population. By encompassing conventional technology acceptance constructs together with age-related health and ability characteristics, the present study was able to identify more factors affecting gerontechnology acceptance by older Hong Kong Chinese.