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利用分子动力学模拟研究激光诱导钙铝硅酸盐玻璃的结构改性

Laser-induced structural modification in calcium aluminosilicate glasses using molecular dynamic simulations.

作者信息

Locker Sean, Goyal Sushmit, McKenzie Matthew E, Sundaram S K, Ungaro Craig

机构信息

Kazuo Inamori School of Engineering, The New York State College of Ceramics, Ultrafast Materials Science and Engineering Laboratory (U-Lab), Alfred University, Alfred, NY, 14802, USA.

Corning Incorporated, Science and Technology Division, Corning, NY, 14831, USA.

出版信息

Sci Rep. 2021 May 4;11(1):9519. doi: 10.1038/s41598-021-88686-7.

DOI:10.1038/s41598-021-88686-7
PMID:33947885
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8096823/
Abstract

Glass structures of multicomponent oxide systems (CaO-AlO-SiO) are studied using a simulated pulsed laser with molecular dynamics. The short- and intermediate-range order structures revealed a direct correlation between the transformation of Al to Al, regions of increased density following laser processing, inherent reduction in the average T-O-T (T = Al, Si) angle, and associated elongation of the T-O bonding distance. Variable laser pulse energies were simulated across calcium aluminosilicate glasses with high silica content (50-80%) to identify densification trends attributed to composition and laser energy. High-intensity pulsed laser effects on fictive temperature and shockwave promotion are discussed in detail for their role in glass densification. Laser-induced structural changes are found to be highly dependent on pulse energy and glass chemistry.

摘要

利用分子动力学模拟脉冲激光对多组分氧化物体系(CaO-AlO-SiO)的玻璃结构进行了研究。短程和中程有序结构揭示了Al向Al转变、激光处理后密度增加的区域、平均T-O-T(T = Al、Si)角的固有减小以及T-O键长的相关伸长之间的直接关联。在高二氧化硅含量(50-80%)的钙铝硅酸盐玻璃中模拟了可变的激光脉冲能量,以确定归因于成分和激光能量的致密化趋势。详细讨论了高强度脉冲激光对虚构温度和冲击波促进的影响在玻璃致密化中的作用。发现激光诱导的结构变化高度依赖于脉冲能量和玻璃化学性质。

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本文引用的文献

1
High-throughput microchannel fabrication in fused silica by temporally shaped femtosecond laser Bessel-beam-assisted chemical etching.通过时间整形飞秒激光贝塞尔光束辅助化学蚀刻在熔融石英中进行高通量微通道制造。
Opt Lett. 2018 Jan 1;43(1):98-101. doi: 10.1364/OL.43.000098.
2
The correlation between fragility, density, and atomic interaction in glass-forming liquids.玻璃形成液体中脆性、密度与原子相互作用之间的相关性。
J Chem Phys. 2016 Jul 21;145(3):034505. doi: 10.1063/1.4958628.
3
Development of chemical and topological structure in aluminosilicate liquids and glasses at high pressure.
高压下铝硅酸盐液体和玻璃中化学与拓扑结构的发展
J Phys Condens Matter. 2015 Mar 18;27(10):105103. doi: 10.1088/0953-8984/27/10/105103. Epub 2015 Feb 9.
4
Striking role of non-bridging oxygen on glass transition temperature of calcium aluminosilicate glass-formers.非桥氧对铝硅酸钙玻璃形成体玻璃化转变温度的显著作用。
J Chem Phys. 2014 Jun 21;140(23):234507. doi: 10.1063/1.4882283.
5
New interatomic potential parameters for molecular dynamics simulations of rare-earth (RE = La, Y, Lu, Sc) aluminosilicate glass structures: exploration of RE3+ field-strength effects.新型稀土(RE=La、Y、Lu、Sc)铝硅酸盐玻璃结构分子动力学模拟的原子间相互作用势参数:RE3+场强效应的探索。
Phys Chem Chem Phys. 2013 Sep 28;15(36):15041-55. doi: 10.1039/c3cp51726h.
6
Structural and dynamic properties of calcium aluminosilicate melts: a molecular dynamics study.钙铝硅酸盐熔体的结构和动力学性质:分子动力学研究。
J Chem Phys. 2013 Jun 14;138(22):224510. doi: 10.1063/1.4809523.
7
Inter-tetrahedra bond angle of permanently densified silicas extracted from their Raman spectra.从拉曼光谱中提取的永久致密二氧化硅的四面体间键角。
J Phys Condens Matter. 2010 Jan 20;22(2):025401. doi: 10.1088/0953-8984/22/2/025401. Epub 2009 Dec 9.
8
Single-pulse ultrafast laser imprinting of axial dot arrays in bulk glasses.体块玻璃中轴向点阵列的单脉冲超快激光压印。
Opt Lett. 2011 Feb 1;36(3):325-7. doi: 10.1364/OL.36.000325.
9
Poisson's ratio and the densification of glass under high pressure.泊松比与玻璃在高压下的致密化
Phys Rev Lett. 2008 Jun 6;100(22):225501. doi: 10.1103/PhysRevLett.100.225501. Epub 2008 Jun 3.
10
Structural changes in fused silica after exposure to focused femtosecond laser pulses.聚焦飞秒激光脉冲辐照后熔融石英的结构变化
Opt Lett. 2001 Nov 1;26(21):1726-8. doi: 10.1364/ol.26.001726.