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

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

The American Society for Testing and Materials (ASTM) is an independent organization devoted to the development of standards.

American Society for Testing and Materials

The extensive development of electronic systems and telecommunications has lead to major concerns regarding electromagnetic pollution. Motivated by environmental questions and by a wide variety of applications, the quest for materials with high efficiency to mitigate electromagnetic interferences (EMI) pollution has become a mainstream field of research. This paper reviews the state-of-the-art research in the design and characterization of polymer/carbon based composites as EMI shielding materials. After a brief introduction, in Section 1, the electromagnetic theory will be briefly discussed in Section 2 setting the foundations of the strategies to be employed to design efficient EMI shielding materials. These materials will be classified in the next section by the type of carbon fillers, involving carbon black, carbon fiber, carbon nanotubes and graphene. The importance of the dispersion method into the polymer matrix (melt-blending, solution processing, etc.) on the final material properties will be discussed. The combination of carbon fillers with other constituents such as metallic nanoparticles or conductive polymers will be the topic of Section 4. The final section will address advanced complex architectures that are currently studied to improve the performances of EMI materials and, in some cases, to impart additional properties such as thermal management and mechanical resistance. In all these studies, we will discuss the efficiency of the composites/devices to absorb and/or reflect the EMI radiation.

Polymer/carbon based composites as electromagnetic interference (EMI) shielding materials

Geopolymer concrete: A review of some recent developments

The objective of this study is to develop a micromechanics-based viscoelastic damage model that can predict the overall viscoelastic behavior of particle-reinforced polymeric composites undergoing damage. The emphasis here is that the present model successfully combines a rate-dependent viscoelastic constitutive model and a damage model. The Laplace transform based on the Boltzmann superposition principle and the ensemble-volume averaged method suggested by Ju and Chen (Acta Mech 103:103–121, 1994a; Acta Mech 103:123–144, 1994b) are extended toward effective viscoelastic properties. Further, the probability of the distribution function of Weibull (J Appl Mech 18:293–297, 1951) is adopted to describe a damage model that is dependent on damage parameters. A series of numerical simulations including parametric studies, and experimental comparisons are carried out to give insight into the potential capacity of the present micromechanics-based viscoelastic damage framework.

Micromechanics-based viscoelastic damage model for particle-reinforced polymeric composites

Numerical characterization of compressive response and damage evolution in laminated plates containing a cutout

An elastoplastic multi-level damage model for ductile matrix composites considering evolutionary weakened interface

Effect of CaO incorporation on the microstructure and autogenous shrinkage of ternary blend Portland cement-slag-silica fume

The addition of carbon nanotubes (CNTs) to a matrix material is ex- pected to lead to an increase in the effective electrical properties of nanocompos- ites. However, a CNT entanglement caused by the matrix viscosity and the high aspect ratio of the nanotubes often inhibits the formation of a conductive network. In the present study, the micromechanics-based model is utilized to investigate the effect of CNT agglomeration on the electrical conductivity and percolation thresh- old of nanocomposites. A series of parametric studies considering various shapes and curviness distributions of CNTs are carried out to examine the effects of entan- glement on the electrical performance of nanocomposites. Comparisons between experimental results and the present predictions are made to evaluate the predictive capability of the proposed model. In addition, the present model is incorporated into the commercial finite element software ANSYS HFSS to simulate the electro- magnetic interference (EMI) shielding effectiveness of nanocomposites.

Haeng-Ki Lee

Papers

Micromechanics-based viscoelastic damage model for particle-reinforced polymeric composites

Numerical characterization of compressive response and damage evolution in laminated plates containing a cutout

An elastoplastic multi-level damage model for ductile matrix composites considering evolutionary weakened interface

Effect of CaO incorporation on the microstructure and autogenous shrinkage of ternary blend Portland cement-slag-silica fume

Effect of CNT Agglomeration on the Electrical Conductivity and Percolation Threshold of Nanocomposites: A Micromechanics-based Approach