5,164 research outputs found
An interactive graphics package for the automatic node renumbering of finite element matrices
An interactive graphics software package which allows users to display the non-zero structure of large sparse symmetric materials was described and methods used to implement it as a portable FORTRAN callable subroutine were summarized. In particular, the system permits the display of the resulting matrix after reordering the rows and columns, with the reordering scheme either defined by the user or automatically generated by the program with the aim of reducing matrix bandwidth and profile. Although the primary application of the package has been to the finite element analysis of structures, it is equally well suited to the many other areas of engineering and science which use sparse matrices
Surface diffusion coefficients by thermodynamic integration: Cu on Cu(100)
The rate of diffusion of a Cu adatom on the Cu(100) surface is calculated
using thermodynamic integration within the transition state theory. The results
are found to be in excellent agreement with the essentially exact values from
molecular-dynamics simulations. The activation energy and related entropy are
shown to be effectively independent of temperature, thus establishing the
validity of the Arrhenius law over a wide range of temperatures. Our study
demonstrates the equivalence of diffusion rates calculated using thermodynamic
integration within the transition state theory and direct molecular-dynamics
simulations.Comment: 4 pages (revtex), two figures (postscript
Developing numerical libraries in Java
The rapid and widespread adoption of Java has created a demand for reliable
and reusable mathematical software components to support the growing number of
compute-intensive applications now under development, particularly in science
and engineering. In this paper we address practical issues of the Java language
and environment which have an effect on numerical library design and
development. Benchmarks which illustrate the current levels of performance of
key numerical kernels on a variety of Java platforms are presented. Finally, a
strategy for the development of a fundamental numerical toolkit for Java is
proposed and its current status is described.Comment: 11 pages. Revised version of paper presented to the 1998 ACM
Conference on Java for High Performance Network Computing. To appear in
Concurrency: Practice and Experienc
Diffusion of Pt dimers on Pt(111)
We report the results of a density-functional study of the diffusion of Pt
dimers on the (111) surface of Pt. The calculated activation energy of 0.37 eV
is in {\em exact} agreement with the recent experiment of Kyuno {\em et al.}
\protect{[}Surf. Sci. {\bf 397}, 191 (1998)\protect{]}. Our calculations
establish that the dimers are mobile at temperatures of interest for adatom
diffusion, and thus contribute to mass transport. They also indicate that the
diffusion path for dimers consists of a sequence of one-atom and (concerted)
two-atom jumps.Comment: Pour pages postscript formatted, including one figure; submitted to
Physical Review B; other papers of interest can be found at url
http://www.centrcn.umontreal.ca/~lewi
Melt onset over Arctic sea ice controlled by atmospheric moisture transport
The timing of melt onset affects the surface energy uptake throughout the melt season. Yet the processes triggering melt and causing its large interannual variability are not well understood. Here we show that melt onset over Arctic sea ice is initiated by positive anomalies of water vapor, clouds, and air temperatures that increase the downwelling longwave radiation (LWD) to the surface. The earlier melt onset occurs; the stronger are these anomalies. Downwelling shortwave radiation (SWD) is smaller than usual at melt onset, indicating that melt is not triggered by SWD. When melt occurs early, an anomalously opaque atmosphere with positive LWD anomalies preconditions the surface for weeks preceding melt. In contrast, when melt begins late, clearer than usual conditions are evident prior to melt. Hence, atmospheric processes are imperative for melt onset. It is also found that spring LWD increased during recent decades, consistent with trends toward an earlier melt onset. ©2016. American Geophysical Union. All Rights Reserved
Melt onset over Arctic sea ice controlled by atmospheric moisture transport
The timing of melt onset affects the surface energy uptake throughout the melt season. Yet the processes triggering melt and causing its large interannual variability are not well understood. Here we show that melt onset over Arctic sea ice is initiated by positive anomalies of water vapor, clouds, and air temperatures that increase the downwelling longwave radiation (LWD) to the surface. The earlier melt onset occurs; the stronger are these anomalies. Downwelling shortwave radiation (SWD) is smaller than usual at melt onset, indicating that melt is not triggered by SWD. When melt occurs early, an anomalously opaque atmosphere with positive LWD anomalies preconditions the surface for weeks preceding melt. In contrast, when melt begins late, clearer than usual conditions are evident prior to melt. Hence, atmospheric processes are imperative for melt onset. It is also found that spring LWD increased during recent decades, consistent with trends toward an earlier melt onset
Anisotropy of Growth of the Close-Packed Surfaces of Silver
The growth morphology of clean silver exhibits a profound anisotropy: The
growing surface of Ag(111) is typically very rough while that of Ag(100) is
smooth and flat. This serious and important difference is unexpected, not
understood, and hitherto not observed for any other metal. Using density
functional theory calculations of self-diffusion on flat and stepped Ag(100) we
find, for example, that at flat regions a hopping mechanism is favored, while
across step edges diffusion proceeds by an exchange process. The calculated
microscopic parameters explain the experimentally reported growth properties.Comment: RevTeX, 4 pages, 3 figures in uufiles form, to appear in Phys. Rev.
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