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

This paper presents a review of the principal developments in functionally graded materials (FGMs) with an emphasis on the recent work published since 2000. Diverse areas relevant to various aspects of theory and applications of FGM are reflected in this paper. They include homogenization of particulate FGM, heat transfer issues, stress, stability and dynamic analyses, testing, manufacturing and design, applications, and fracture. The critical areas where further research is needed for a successful implementation of FGM in design are outlined in the conclusions. DOI: 10.1115/1.2777164

https://web.mst.edu/~vbirman/papers/Modeling%20and%20Analysis%20of%20FGM_Review_2007.pdf

Modeling and Analysis of Functionally Graded Materials and Structures

Perovskite lead-free dielectrics for energy storage applications

A review on mechanics and mechanical properties of 2D materials—Graphene and beyond

Perovskite solid solution ceramics of (1 − x)BaTiO3–xBi(Mg2/3Nb1/3)O3 (BT–BMN) (x = 0.05–0.2) were synthesized by solid-state reaction technique. The results show that the BMN addition could lower the sintering temperature of BT-based ceramics. X-ray diffraction results reveal a pure perovskite structure for all studied samples. Dielectric measurements exhibit a relaxor-like characteristic for the BT–BMN ceramics, where broadened phase transition peaks change to a temperature-stable permittivity plateau (from −50°C to 300°C) with increasing the BMN content (x = 0.2), and slim polarization–electric field hysteresis loops were observed in samples with x ≥ 0.1. The dielectric breakdown strength and electrical resistivity of BT–BMN ceramics show their maxima of 287.7 kV/cm and 1.53 × 1013 Ω cm at x = 0.15, and an energy density of about 1.13 J/cm3 is achieved in the sample of x = 0.1.

Relaxor Ferroelectric BaTiO3–Bi(Mg2/3Nb1/3)O3 Ceramics for Energy Storage Application

Nonlinear bending and post-buckling of a functionally graded circular plate under mechanical and thermal loadings

A series of (1-x)(0.65BaTiO 3 -0.35Bi 0.5 Na 0.5 TiO 3 )-xNa 0.73 Bi 0.09 NbO 3 ((1-x)BBNT-xNBN) (x = 0–0.14) ceramics were designed and fabricated using the conventional solid-state sintering method. The microstructure, dielectric property, relaxor behavior and energy storage property were systematically investigated. X-ray diffraction results reveal a pure perovskite structure and dielectric measurements exhibit a relaxor behavior for the (1-x)BBNT-xNBN ceramics. The slim polarization electric field ( P-E ) loops were observed in the samples with x ≥ 0.02 and the addition of Na 0.73 Bi 0.09 NbO 3 (NBN) could decrease the remnant polarization ( P r ) of the (1-x)BBNT-xNBN ceramics obviously. The sample with x = 0.08 exhibits the highest energy storage density of 1.70 J/cm 3 and the energy storage efficiency of 82% at 172 kV/cm owing to its submicron grain size and high relative density. These results show that the (1-x)BBNT-xNBN ceramics may be promising lead-free materials for high energy storage density capacitors.

Tong Wang

Papers

Relaxor Ferroelectric BaTiO3–Bi(Mg2/3Nb1/3)O3 Ceramics for Energy Storage Application

Nonlinear bending and post-buckling of a functionally graded circular plate under mechanical and thermal loadings

Lead-free BaTiO3-Bi0.5Na0.5TiO3-Na0.73Bi0.09NbO3 relaxor ferroelectric ceramics for high energy storage

Relationships between axisymmetric bending and buckling solutions of FGM circular plates based on third-order plate theory and classical plate theory

Dielectric and temperature stable energy storage properties of 0.88BaTiO3–0.12Bi(Mg1/2Ti1/2)O3 bulk ceramics