An ab initio molecular dynamics study of femtosecond laser processing of germanium is presented in this paper. The method based on the finite temperature density functional theory is adopted to probe the nanostructure change, thermal motion of the atoms, dynamic property of the velocity autocorrelation, and the vibrational density of states. Starting from a cubic system at room temperature (300 K) containing 64 germanium atoms with an ordered arrangement of 1.132 nm in each dimension, the femtosecond laser processing is simulated by imposing the Nose Hoover thermostat to the electron subsystem lasting for ∼100 fs and continuing with microcanonical ensemble simulation of ∼200 fs. The simulation results show solid, liquid and gas phases of germanium under adjusted intensities of the femtosecond laser irradiation. We find the irradiated germanium distinguishes from the usual germanium crystal by analyzing their melting and dynamic properties.
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ASME 2013 4th International Conference on Micro/Nanoscale Heat and Mass Transfer
December 11–14, 2013
Hong Kong, China
Conference Sponsors:
- Heat Transfer Division
ISBN:
978-0-7918-5615-4
PROCEEDINGS PAPER
An Ab Initio Molecular Dynamics Simulation of Femtosecond Laser Processing of Germanium Available to Purchase
Pengfei Ji,
Pengfei Ji
University of Missouri, Columbia, MO
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Yuwen Zhang
Yuwen Zhang
University of Missouri, Columbia, MO
Search for other works by this author on:
Pengfei Ji
University of Missouri, Columbia, MO
Yuwen Zhang
University of Missouri, Columbia, MO
Paper No:
MNHMT2013-22161, V001T07A002; 6 pages
Published Online:
February 26, 2014
Citation
Ji, P, & Zhang, Y. "An Ab Initio Molecular Dynamics Simulation of Femtosecond Laser Processing of Germanium." Proceedings of the ASME 2013 4th International Conference on Micro/Nanoscale Heat and Mass Transfer. ASME 2013 4th International Conference on Micro/Nanoscale Heat and Mass Transfer. Hong Kong, China. December 11–14, 2013. V001T07A002. ASME. https://doi.org/10.1115/MNHMT2013-22161
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