Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Contribution of electronic excitation of the structural evolution of ultrafast laser-irradiated tungsten nano films
AU - Murphy, Samuel
AU - Giret, Yvelin
AU - Daraszewicz, Szymon
AU - Lim, Anthony
AU - Shluger, Alexander
AU - Tanimura, Katsumi
AU - Duffy, Dorothy
PY - 2016/3/9
Y1 - 2016/3/9
N2 - The redistribution of the electron density in a material during laser irradiation can have a significant impact on its structural dynamics. This electronic excitation can be incorporated into two temperature molecular dynamics (2T-MD) simulations through the use of electronic temperature dependent potentials. Here, we study the structural dynamics of laser irradiated tungsten nanofilms using 2T-MD simulations with an electronic temperature dependent potential and compare the results to equivalent simulations that employ a ground-state interatomic potential. Electronic excitation leads to an expansion of the crystal and a decrease in the melting point of tungsten. During laser irradiation these factors ensure that the threshold fluences to the different melting regimes are reduced. Furthermore, both heterogenous and homogeneous melting are predicted to occur more rapidly due to excitation and oscillations in the film thickness will be accentuated.
AB - The redistribution of the electron density in a material during laser irradiation can have a significant impact on its structural dynamics. This electronic excitation can be incorporated into two temperature molecular dynamics (2T-MD) simulations through the use of electronic temperature dependent potentials. Here, we study the structural dynamics of laser irradiated tungsten nanofilms using 2T-MD simulations with an electronic temperature dependent potential and compare the results to equivalent simulations that employ a ground-state interatomic potential. Electronic excitation leads to an expansion of the crystal and a decrease in the melting point of tungsten. During laser irradiation these factors ensure that the threshold fluences to the different melting regimes are reduced. Furthermore, both heterogenous and homogeneous melting are predicted to occur more rapidly due to excitation and oscillations in the film thickness will be accentuated.
U2 - 10.1103/PhysRevB.93.104105
DO - 10.1103/PhysRevB.93.104105
M3 - Journal article
VL - 93
JO - Physical Review B: Condensed Matter and Materials Physics
JF - Physical Review B: Condensed Matter and Materials Physics
SN - 1098-0121
M1 - 104105
ER -