Universität zu Köln

Sun, Mengli ORCID: 0000-0001-5502-9212, Jahn, Sandro ORCID: 0000-0002-2137-8833, Peng, Haibo, Zhang, Xiaoyang, Wang, Tieshan and Kowalski, Piotr M. (2021). Properties of irradiated sodium borosilicate glasses from experiment and atomistic simulations. J. Am. Ceram. Soc., 104 (9). S. 4479 - 4492. HOBOKEN: WILEY. ISSN 1551-2916

Full text not available from this repository.

Abstract

With a combination of atomistic modeling and experimental techniques, we have investigated the structural and elastic parameters of sodium borosilicate glasses, including irradiation-induced changes. Both approaches show that the Young's modulus depends linearly on the density of material. The simulated glass density and boron speciation match also the estimates by independent, elemental glass composition-based models, indicating that atomistic simulations could be used in validation of theoretical models and experimental results. This allows us to formulate Young's modulus-density relationships for investigated borosilicate glasses and test the existing empirical model for description of Vickers hardness of these materials. The simulation of irradiation reveals a change of B-[4] content under irradiation. By applying a simple defects accumulation procedure, we are able to correctly reproduce the measured critical irradiation dose of similar to 0.1 dpa and provide reasonable information on density change and stored internal energy. With the obtained agreements between the experimental and simulation results, we obtained superior insights into the atomic-scale structural evolution of irradiated borosilicate glasses.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Sun, Mengli UNSPECIFIED orcid.org/0000-0001-5502-9212 UNSPECIFIED Jahn, Sandro UNSPECIFIED orcid.org/0000-0002-2137-8833 UNSPECIFIED Peng, Haibo UNSPECIFIED UNSPECIFIED UNSPECIFIED Zhang, Xiaoyang UNSPECIFIED UNSPECIFIED UNSPECIFIED Wang, Tieshan UNSPECIFIED UNSPECIFIED UNSPECIFIED Kowalski, Piotr M. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-585458
DOI:	10.1111/jace.17830
Journal or Publication Title:	J. Am. Ceram. Soc.
Volume:	104
Number:	9
Page Range:	S. 4479 - 4492
Date:	2021
Publisher:	WILEY
Place of Publication:	HOBOKEN
ISSN:	1551-2916
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language MOLECULAR-OXYGEN FORMATION; POLYCRYSTALLINE MATERIALS; SILICATE MELTS; RADIATION; DYNAMICS; HARDNESS; DENSITY; POTENTIALS; BEHAVIOR Multiple languages Materials Science, Ceramics Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/58545