Mechanism of Defect Formation Process in Electron-Irradiated Pb1?xSnxSe Alloys with Inverse Band Structure

Characteristics of silica optical material largely depend on its thermal history. In this paper, formation of thermally induced defects in silica optical material is studied. The formation process of defect is analyzed in detail. The results show that there is an obvious difference in defect formation induced by heating treatment when the composition of silica optical material changes. Defect formation mainly displays as the produce process when the initial defects of the silica material are zero. However, defect formation expresses as the produce and annealing process when the initial defects of the silica material are not zero. The initial defect concentration can be decreased significantly when the silica material is heated in high temperature. At the same time, the new defect is also produced. These theoretic results are consistent with the previous experimental ones.

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Observation of defect formation process in silica glasses under ion irradiation

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms ◽

10.1016/j.nimb.2006.04.103 ◽

2006 ◽

Vol 250 (1-2) ◽

pp. 174-177 ◽

Cited By ~ 4

Author(s):

M. Watanabe ◽

T. Yoshida ◽

T. Tanabe ◽

S. Muto ◽

A. Inoue ◽

...

Keyword(s):

Formation Process ◽

Defect Formation ◽

Ion Irradiation ◽

Silica Glasses

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Nonthermal Mechanism of Defect Formation in the CdHgTe Semiconductor on Exposure to Soft X-rays

Physics of Atomic Nuclei ◽

10.1134/s1063778819110188 ◽

2019 ◽

Vol 82 (11) ◽

pp. 1571-1575

Author(s):

R. Sh. Ramakoti ◽

O. B. Anan’in ◽

A. P. Melekhov ◽

I. A. Gerasimov ◽

G. S. Bogdanov ◽

...

Keyword(s):

Defect Formation ◽

X Rays ◽

Mechanism Of Defect Formation

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Investigation of Defect Formation Process in Transmission and Distribution Equipment

Applied Mechanics and Materials ◽

10.4028/www.scientific.net/amm.792.305 ◽

2015 ◽

Vol 792 ◽

pp. 305-311

Author(s):

Elena Rychagova ◽

Vladimir Levin

Keyword(s):

Stochastic Process ◽

Formation Process ◽

Defect Formation ◽

Statistical Investigation ◽

Electric Networks ◽

Equipment Reliability ◽

Evaluation Models ◽

Degree Of Confidence ◽

High Degree ◽

Transmission And Distribution

The results of the statistical investigation of defect formation process in the equipment of electric networks are shown. Probabilistic characteristics of the stochastic process of the growing defects formation are determined for the 6/0.4 kV transformers with a high degree of confidence. The results will be used in the evaluation models of the equipment reliability under the actual maintenance condition.

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On the Role of Solvent in the Formation of Vacancies on Ibuprofen Crystal Facets

10.26434/chemrxiv-2021-01dfq ◽

2021 ◽

Author(s):

Veselina Marinova ◽

Geoffrey P. F. Wood ◽

Ivan Marziano ◽

Matteo Salvalaglio

Keyword(s):

Surface Defects ◽

Defect Formation ◽

Energetic Cost ◽

Crystal Facet ◽

Mechanism Of Defect Formation ◽

Surface Vacancy ◽

Racemic Ibuprofen ◽

Dynamics Simulations ◽

Role Of Solvent

Surface defects play a crucial role in the process of crystal growth, as the incorporation of growth units generally takes place on under-coordinated sites on the growing crystal facet. In this work, we use molecular dynamics simulations to obtain information on the role of the solvent in the roughening of three morphologically-relevant crystal faces of form I of racemic ibuprofen. To this aim, we devise a computational strategy based on combining independent Well Tempered Metadynamics with Mean Force Integration. This approach enables us to evaluate the energetic cost associated with the formation of a surface vacancy for a set of ten solvents, covering a range of polarities and hydrogen-bonding ability. We find that both the mechanism of defect formation on these facets and the work associated with the process are indeed markedly solvent-dependent. The methodology developed in this work has been designed with the aim of capturing solvent effects at the atomistic scale while maintaining the computational efficiency necessary for implementation in high-throughput computational screenings of crystallization solvents.

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