TY - GEN

T1 - Energy Surface of Pit-Patterned Templates for Growth of Space-Arranged Arrays of Quantum Dots - Molecular Dynamics Calculations Using High-Efficiency Algorithms

AU - Novikov, P. L.

AU - Dvurechenskii, A. V.

AU - Pavsky, K. V.

N1 - Publisher Copyright: © 2019 IEEE. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2019/10

Y1 - 2019/10

N2 - Using MD simulation the energy surface of pit-patterned Si substrate is obtained. The physical model is based on empirical Tersoff potential, which governs the dynamics of an atomistic crystal system including Si and Ge atoms. The pits at the surface of Si substrate assume the shape of inverted truncated pyramid. The analysis of the energy surface mapped by MD calculations shows that the dense space-arranged array of nanoislands with up to 4 nanoislands per pit may be grown by the deposition of Ge on Si pit-patterned substrate. The calculations were carried using algorithm of parallel programming. The scheme of the parallel algorithm for Verlet neighbor list formation is suggested. The results of calculations using parallel algorithm are presented in form of the speedup depending on the cores number.

AB - Using MD simulation the energy surface of pit-patterned Si substrate is obtained. The physical model is based on empirical Tersoff potential, which governs the dynamics of an atomistic crystal system including Si and Ge atoms. The pits at the surface of Si substrate assume the shape of inverted truncated pyramid. The analysis of the energy surface mapped by MD calculations shows that the dense space-arranged array of nanoislands with up to 4 nanoislands per pit may be grown by the deposition of Ge on Si pit-patterned substrate. The calculations were carried using algorithm of parallel programming. The scheme of the parallel algorithm for Verlet neighbor list formation is suggested. The results of calculations using parallel algorithm are presented in form of the speedup depending on the cores number.

KW - high-efficiency algorithms

KW - molecular dynamics

KW - prepatterned substrates

KW - space-arranged arrays of quantum dots

UR - http://www.scopus.com/inward/record.url?scp=85078058008&partnerID=8YFLogxK

U2 - 10.1109/FarEastCon.2019.8934013

DO - 10.1109/FarEastCon.2019.8934013

M3 - Conference contribution

T3 - 2019 International Multi-Conference on Industrial Engineering and Modern Technologies, FarEastCon 2019

BT - 2019 International Multi-Conference on Industrial Engineering and Modern Technologies, FarEastCon 2019

PB - Institute of Electrical and Electronics Engineers Inc.

T2 - 2019 International Multi-Conference on Industrial Engineering and Modern Technologies, FarEastCon 2019

Y2 - 1 October 2019 through 4 October 2019

ER -