First-principles study of interstitial oxygen in potassium dihydrogen phosphate crystals

2005 ◽  
Vol 72 (18) ◽  
Author(s):  
Kunpeng Wang ◽  
Changshui Fang ◽  
Jianxiu Zhang ◽  
C. S. Liu ◽  
Robert I. Boughton ◽  
...  
Keyword(s):  
First Principles ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
Interstitial Oxygen ◽  
Potassium Dihydrogen ◽  
First Principles Study

scholarly journals First-principles study of dehydration process of potassium dihydrogen phosphate crystal

Heliyon ◽  
2019 ◽  
Vol 5 (3) ◽  
pp. e01384 ◽  
Author(s):  
Xiang Li ◽  
Pengfei Zhu ◽  
Lihong Han ◽  
Tao Zhang ◽  
Baonan Jia ◽  
...  
Keyword(s):  
First Principles ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
Dehydration Process ◽  
Potassium Dihydrogen ◽  
First Principles Study

First-principles Studies on Optical Absorption of [010] Screw Dislocation in KDP Crystal

CrystEngComm ◽  
2021 ◽  
Author(s):  
Xuanyu Jiang ◽  
Yang Li ◽  
Liening Wei ◽  
Mingxia Xu ◽  
Lisong Zhang ◽  
...  
Keyword(s):  
Optical Absorption ◽  
Screw Dislocation ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
Total System ◽  
Kdp Crystal ◽  
Potassium Dihydrogen

The structure, total system energies, electronic structures and optical absorption of the [010] screw dislocation in potassium dihydrogen phosphate (KH2PO4, KDP) crystal are investigated in the framework of density functional...

scholarly journals Optical Absorption Spectra of Vanadyl Ion (Impurities) in Three Host Crystal Compounds

1985 ◽  
Vol 40 (11) ◽  
pp. 1164-1166
Author(s):  
O. P. Agarwal ◽  
Prem Chand
Keyword(s):  
Optical Absorption ◽  
Potassium Dihydrogen Phosphate ◽  
Optical Data ◽  
Dihydrogen Phosphate ◽  
Host Crystal ◽  
Optical Absorption Study ◽  
Potassium Dihydrogen ◽  
Vanadyl Complexes ◽  
Vanadyl Ion ◽  
Magnesium Ammonium

Results of the optical absorption study of vanadyl ion doped in magnesium ammonium sulphate hexahydrate, rubidium sulphate and potassium dihydrogen phosphate single crystals at RT are reported. The nature of optical bands suggests a C4v symmetry of the Vanadyl complexes in conformity with the EPR results. Powder EPR data and optical data are correlated to obtain the MO coefficients.

scholarly journals The Strain Rate Sensitivity and Creep Behavior for the Tripler Plane of Potassium Dihydrogen Phosphate Crystal by Nanoindentation

Micromachines ◽  
2021 ◽  
Vol 12 (4) ◽  
pp. 369
Author(s):  
Jianhui Mao ◽  
Wenjun Liu ◽  
Dongfang Li ◽  
Chenkai Zhang ◽  
Yi Ma
Keyword(s):  
Strain Rate ◽  
Strain Rate Sensitivity ◽  
Creep Deformation ◽  
Potassium Dihydrogen Phosphate ◽  
Rate Sensitivity ◽  
Dislocation Nucleation ◽  
Machining Process ◽  
Dihydrogen Phosphate ◽  
Potassium Dihydrogen ◽  
Kdp Crystals

As an excellent multifunctional single crystal, potassium dihydrogen phosphate (KDP) is a well-known, difficult-to-process material for its soft-brittle and deliquescent nature. The surface mechanical properties are critical to the machining process; however, the characteristics of deformation behavior for KDP crystals have not been well studied. In this work, the strain rate effect on hardness was investigated on the mechanically polished tripler plane of a KDP crystal relying on nanoindentation technology. By increasing the strain rate from 0.001 to 0.1 s−1, hardness increased from 1.67 to 2.07 GPa. Hence, the strain rate sensitivity was determined as 0.053, and the activation volume of dislocation nucleation was 169 Å3. Based on the constant load-holding method, creep deformation was studied at various holding depths at room temperature. Under the spherical tip, creep deformation could be greatly enhanced with increasing holding depth, which was mainly due to the enlarged holding strain. Under the self-similar Berkovich indenter, creep strain could be reduced at a deeper location. Such an indentation size effect on creep deformation was firstly reported for KDP crystals. The strain rate sensitivity of the steady-state creep flow was estimated, and the creep mechanism was qualitatively discussed.

Assessment of Structural Stability of Dye-Doped Potassium Dihydrogen Phosphate Under Shocked Conditions

2021 ◽  
Author(s):  
A. Sivakumar ◽  
S. Sahaya Jude Dhas ◽  
P. Sivaprakash ◽  
Abdulrahman I. Almansour ◽  
Raju Suresh Kumar ◽  
...  
Keyword(s):  
Structural Stability ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
Potassium Dihydrogen
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