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

THE DESIGN AND ANALYSIS OF EXPERIMENTS. By Oscar Kempthorne. New York, John Wiley and Sons, Inc., 1952. 631 pp. $8.50. This book by a teacher of statistics (as well as a consultant for \"experimenters\") is a comprehensive study of the philosophical background for the statistical design of experiment. It is necessary to have some facility with algebraic notation and manipulation to be able to use the volume intelligently. The problems are presented from the theoretical point of view, without such practical examples as would be helpful for those not acquainted with mathematics. The mathematical justification for the techniques is given. As a somewhat advanced treatment of the design and analysis of experiments, this volume will be interesting and helpful for many who approach statistics theoretically as well as practically. With emphasis on the \"why,\" and with description given broadly, the author relates the subject matter to the general theory of statistics and to the general problem of experimental inference. MARGARET J. ROBERTSON

The Design and Analysis of Experiments

The talk with present the key results of the IPCC Working Group III 5th assessment report. Concluding four years of intense scientific collaboration by hundreds of authors from around the world, the report responds to the request of the world's governments for a comprehensive, objective and policy neutral assessment of the current scientific knowledge on mitigating climate change. The report has been extensively reviewed by experts and governments to ensure quality and comprehensiveness.

Climate change 2014 - Mitigation of climate change

Intermolecular And Surface Forces

Rapid growth in the market for electric vehicles is imperative, to meet global targets for reducing greenhouse gas emissions, to improve air quality in urban centres and to meet the needs of consumers, with whom electric vehicles are increasingly popular. However, growing numbers of electric vehicles present a serious waste-management challenge for recyclers at end-of-life. Nevertheless, spent batteries may also present an opportunity as manufacturers require access to strategic elements and critical materials for key components in electric-vehicle manufacture: recycled lithium-ion batteries from electric vehicles could provide a valuable secondary source of materials. Here we outline and evaluate the current range of approaches to electric-vehicle lithium-ion battery recycling and re-use, and highlight areas for future progress. Processes for dismantling and recycling lithium-ion battery packs from scrap electric vehicles are outlined.

/pdf/recycling-lithium-ion-batteries-from-electric-vehicles-1ey0653up3.pdf

Recycling lithium-ion batteries from electric vehicles

In the production of intracellular products, a cell disruption step in the downstream processing is necessary for product release. While in the past, cell disruption behavior was simply measured with different devices, today the microprocess within these devices is the focus of interest. This contribution summarizes current results of microbial micromechanical properties and briefly discusses the methods used for measurements. The industrially relevant cell disruption devices in a high pressure homogenizer, stirred media mill and ultrasonic homogenizer are introduced, their cell disruption mechanisms are discussed and their different applications compared. The impact of the results of micromechanical measurements on cell disruption devices will be discussed.


Keywords:

cell disruption;
microorganisms;
single cell treatment;
AFM;
compression

Cell Disruption, Microbial, Micromechanical Properties

Selective particle size analysis in binary submicron particle mixtures using density dependent differential sedimentation

https://onlinelibrary.wiley.com/doi/pdf/10.1002/ente.201900751

Advances in Battery Cell Production

Optimization of aqueous microgrinding processes for fibrous plant materials

Im Rahmen des Projekts μ-Consortium wurde eine mobile Praktikumsanlage zur Einbindung der Mikroverfahrenstechnik in die Lehre realisiert. Zur Vermittlung von Kenntnissen in einer Vielzahl verfahrenstechnischer Operationen im Mikromasstab wurden Praktikumsversuche zu den Themengebieten Mischen und homogene Reaktion, heterogene Reaktionen, Warmeubertragung und Partikelsynthese entwickelt.

Arno Kwade

Papers

Cell Disruption, Microbial, Micromechanical Properties

Selective particle size analysis in binary submicron particle mixtures using density dependent differential sedimentation

Advances in Battery Cell Production

Optimization of aqueous microgrinding processes for fibrous plant materials

μ-Consortium: Aufbau einer mobilen Anlage für die Aus- und Weiterbildung in der Mikroverfahrenstechnik