Characterization and criteria of phase transformations and lattice slipping in potassium dihydrogen phosphate crystals

Yang，Shengyao1; Zhang，Liangchi2,3; Wu，Zhonghuai1

2021

10.1111/jace.17955

JOURNAL OF THE AMERICAN CERAMIC SOCIETY   影响因子和分区

0002-7820

1551-2916

Being an important nonlinear optical material, potassium dihydrogen phosphate (KDP) has been widely used in many technological fields such as laser frequency conversion and high-speed Q-switching. Nevertheless, KDP is one of the most difficult-to-handle materials because it is prone to phase transformations under mechanical loading during component fabrication. This study investigated the mechanisms of phase transformations and microstructural lattice slipping in KDP with the aid of molecular dynamics (MD) analysis. A fundamental structural characterization method was established to identify the structural changes, enabling the determination of the corresponding trigger criteria. The results showed that various phase transformations can be initiated under a range of mechanical loading conditions. Microstructural lattice slipping can be nucleated via different mechanisms. These findings provide insights for developing damage-free manufacturing processes of ultraprecision KDP components.

MD simulation mechanical loading phase transformation potassium dihydrogen phosphate slipping structural characterization

SCI ; EI

英语

通讯

WOS:000667747500001

20212610576027

Crystals ; Molecular dynamics ; Optical frequency conversion ; Optical materials ; Phase transitions

Nonlinear Optics:741.1.1 ; Optical Devices and Systems:741.3 ; Physical Chemistry:801.4 ; Crystalline Solids:933.1

MATERIALS SCIENCE

2-s2.0-85108827089

Scopus

1.Laboratory for Precision and Nano Processing Technologies,School of Mechanical and Manufacturing Engineering,The University of New South Wales,Sydney,Australia
2.Shenzhen Key Laboratory of Cross-scale Manufacturing Mechanics,Southern University of Science and Technology,Shenzhen,China
3.Department of Mechanics and Aerospace Engineering,Southern University of Science and Technology,Shenzhen,China

Yang，Shengyao,Zhang，Liangchi,Wu，Zhonghuai. Characterization and criteria of phase transformations and lattice slipping in potassium dihydrogen phosphate crystals[J]. JOURNAL OF THE AMERICAN CERAMIC SOCIETY,2021,104:5955-5965.

Yang，Shengyao,Zhang，Liangchi,&Wu，Zhonghuai.(2021).Characterization and criteria of phase transformations and lattice slipping in potassium dihydrogen phosphate crystals.JOURNAL OF THE AMERICAN CERAMIC SOCIETY,104,5955-5965.

Yang，Shengyao,et al."Characterization and criteria of phase transformations and lattice slipping in potassium dihydrogen phosphate crystals".JOURNAL OF THE AMERICAN CERAMIC SOCIETY 104(2021):5955-5965.