Structural and Thermoelastic Properties of Pure and Carbonated Apatites: An Ab-Initio and Molecular Dynamics Study

dc.contributor.author	Roy, Aritri
dc.date.accessioned	2025-12-05T10:00:48Z
dc.date.available	2025-12-05T10:00:48Z
dc.date.issued	2025-04
dc.identifier.govdoc	NB18929
dc.identifier.uri	http://127.0.0.1/xmlui/handle/123456789/16587
dc.language.iso	en	en_US
dc.publisher	IIT Kharagpur	en_US
dc.subject	DFT	en_US
dc.subject	Apatites	en_US
dc.subject	Weak Cauchy-Born Rule	en_US
dc.subject	Benchmarking	en_US
dc.subject	Thermomechanical Properties	en_US
dc.title	Structural and Thermoelastic Properties of Pure and Carbonated Apatites: An Ab-Initio and Molecular Dynamics Study	en_US
dc.type	Thesis	en_US