A New NASTRAN Capability for Data Reduction

A new module, MODB, for the data reduction of NASTRAN results is described. NASTRAN analysis results can be filtered and sorted for minimum/maximum values and the printed output resulting from large NASTRAN runs can be limited based on a number of available user options. The sorting is done on stresses, forces and vector quantities like displacements, velocity, and acceleration. The module can be accessed via DMAP alters to existing rigid formats, and has been used on a large number of statics and dynamics problems resulting in considerable savings in cost, time, and the amount of printing

An Unusual Application of NASTRAN Contour Plotting Capability

A procedure is presented for obtaining contour plots of any physical quantity defined on a number of points of the surface of a structure. Rigid Format 1 of HEAT approach in Cosmic NASTRAN is ALTERED to enable use of contour plotting capability for scalar quantities. The ALTERED DMAP sequence is given. Examples include temperature distribution on the face of a cooled laser mirror and the angle of incidence or a radome surface

Relationship between thermodynamics and dynamics of supercooled liquids

Diffusivity, a measure for how rapidly a fluid self-mixes, shows an intimate, but seemingly fragmented, connection to thermodynamics. On one hand, the "configurational" contribution to entropy (related to the number of mechanically-stable configurations that fluid molecules can adopt) has long been considered key for predicting supercooled liquid dynamics near the glass transition. On the other hand, the excess entropy (relative to ideal gas) provides a robust scaling for the diffusivity of fluids above the freezing point. Here we provide, to our knowledge, the first evidence that excess entropy also captures how supercooling a fluid modifies its diffusivity, suggesting that dynamics, from ideal gas to glass, is related to a single, standard thermodynamic quantity.Comment: to appear in Journal of Chemical Physic

The UARS and open data concept and analysis study

Alternative concepts for a common design for the UARS and OPEN Central Data Handling Facility (CDHF) are offered. Costs for alternative implementations of the UARS designs are presented, showing that the system design does not restrict the implementation to a single manufacturer. Processing demands on the alternative UARS CDHF implementations are then discussed. With this information at hand together with estimates for OPEN processing demands, it is shown that any shortfall in system capability for OPEN support can be remedied by either component upgrades or array processing attachments rather than a system redesign. In addition to a common system design, it is shown that there is significant potential for common software design, especially in the areas of data management software and non-user-unique production software. Archiving the CDHF data are discussed. Following that, cost examples for several modes of communications between the CDHF and Remote User Facilities are presented. Technology application is discussed

Structural anomalies of fluids: Origins in second and higher coordination shells

Compressing or cooling a fluid typically enhances its static interparticle correlations. However, there are notable exceptions. Isothermal compression can reduce the translational order of fluids that exhibit anomalous waterlike trends in their thermodynamic and transport properties, while isochoric cooling (or strengthening of attractive interactions) can have a similar effect on fluids of particles with short-range attractions. Recent simulation studies by Yan [Phys. Rev. E 76, 051201 (2007)] on the former type of system and Krekelberg [J. Chem. Phys. 127, 044502 (2007)] on the latter provide examples where such structural anomalies can be related to specific changes in second and more distant coordination shells of the radial distribution function. Here, we confirm the generality of this microscopic picture through analysis, via molecular simulation and integral equation theory, of coordination shell contributions to the two-body excess entropy for several related model fluids which incorporate different levels of molecular resolution. The results suggest that integral equation theory can be an effective and computationally inexpensive tool for assessing, based on the pair potential alone, whether new model systems are good candidates for exhibiting structural (and hence thermodynamic and transport) anomalies.Chemical Engineerin