Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

Mechanisms of Tissue Injury in Cryosurgery

Advances in engineered surfaces for functional performance

Review of pool boiling enhancement by surface modification

A review of recent advances in thermophysical properties at the nanoscale: From solid state to colloids

A new method was proposed to measure the thermal conductivity of liquids with infinitesimal samples, which are much smaller than those required in conventional methods. The method utilizes a micro-beam-type MEMS sensor fabricated across a trench on a silicon substrate. Numerical analysis of heat conduction within and around a uniformly heated sensor showed that the temperature of a 10 μm long sensor reached a steady state within approximately 0.1ms, after the start of heating. It was also revealed that the average temperature of the sensor at the steady state was higher in liquids with lower thermal conductivity. These results demonstrate a new idea of measuring the thermal conductivity of liquids within an extremely short time at a steady state before the onset of natural convection.

Feasibility Study of a Novel Technique for Measurement of Liquid Thermal Conductivity with a Micro-beam Sensor

The irreversible electroporation (IRE) is a novel method to ablate abnormal cells by applying a high voltage between two electrodes that are stuck into abnormal tissues. One of the advantages of the IRE is that the extracellular matrix (ECM) may be kept intact, which is favorable for healing. For a successful IRE, it is therefore important to avoid thermal damage of ECM resulted from the Joule heating within the tissue. A three-dimensional (3-D) analysis was conducted in this study to predict temperature rise during the IRE. The equation of electric field and the heat conduction equation were solved numerically by a finite element method. It was clarified that the highest temperature rise occurred at the base of electrodes adjacent to the insulated surface. The result was significantly different from a two-dimensional (2-D) analysis due to end effects, suggesting that the 3-D analysis is required to determine the optimal condition.© 2011 ASME

Effect of Three-Dimensional Electric Field and Heat Conduction to Electrodes on the Temperature Rise During Irreversible Electroporation

Linear stability analysis of a thin vapor film in subcooled film boiling on a horizontal cylinder is reported. The effects of liquid inertia, vapor viscosity and compressibility, and heat transfer were taken into account. Theoretical predictions of the heat transfer coefficient at the neutral stability point were compared with experimental data at the minimum-heat-flux point that was obtained during rapid quenching of thin horizontal wires in water and ethanol. At high liquid subcooling, the experimental value was 60% of the theoretical prediction irrespective of the wire diameter and quenching liquid. This difference was considered to be due to the nonuniformity of the vapor film which was neglected in the theoretical analysis.

Theoretical analysis of the stability of vapor film in subcooled film boiling on a horizontal wire

Etude experimentale des caracteristiques (coefficient de transfert de chaleur et perte de charge) de l'ebullition en convection forcee de melanges de R22 et R114 dans un tube horizontal a rainures internes en spirale. Evolution des caracteristiques en fonction du melange, du debit massique et de la pression. Proposition d'une correlation empirique du coefficient de transfert de chaleur. Comparaison avec les resultats experimentaux et l'equation de Yoshida et al

Forced Convective Boiling of Nonazeotropic Refrigerant Mixtures of R22 and R114 inside a Horizontal Tube

A comparison of evaporation heat transfer coefficients and pressure drop in a horizontal smooth tube for HFC134a and CFC12

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