Jiang, Jinyang, Yan, Yiru, Hou, Dongshuai, Yu, Jiao (2018) Understanding the deformation mechanism and mechanical characteristics of cementitious mineral analogues from first principles and reactive force field molecular dynamics. Physical Chemistry Chemical Physics, 20 (20). 13920-13933 doi:10.1039/c7cp08640g

See Also

These are possibly similar items as determined by title/reference text matching only.

	Jiang, Jinyang, Zheng, Qi, Hou, Dongshuai, Yan, Yiru, Chen, Heng, She, Wei, Wu, Shengping, Guo, Dong, Sun, Wei (2018) Calcite crystallization in the cement system: morphological diversity, growth mechanism and shape evolution. Physical Chemistry Chemical Physics, 20 (20). 14174-14181 doi:10.1039/c8cp01979g
	Hou, Dongshuai, Yang, Tiejun, Tang, Jinhui, Li, Shaochun (2018) Reactive force-field molecular dynamics study on graphene oxide reinforced cement composite: functional group de-protonation, interfacial bonding and strengthening mechanism. Physical Chemistry Chemical Physics, 20 (13). 8773-8789 doi:10.1039/c8cp00006a
	Hou, Dongshuai, Zhang, Yu, Yang, Tiejun, Zhang, Jinrui, Pei, Huafu, Zhang, Jinglin, Jiang, Jinyang, Li, Tao (2018) Molecular structure, dynamics, and mechanical behavior of sodium aluminosilicate hydrate (NASH) gel at elevated temperature: a molecular dynamics study. Physical Chemistry Chemical Physics, 20 (31). 20695-20711 doi:10.1039/c8cp03411g
	Zhou, Yang, Hou, Dongshuai, Geng, Guoqing, Feng, Pan, Yu, Jiao, Jiang, Jinyang (2018) Insights into the interfacial strengthening mechanisms of calcium-silicate-hydrate/polymer nanocomposites. Physical Chemistry Chemical Physics, 20 (12). 8247-8266 doi:10.1039/c8cp00328a
	Hou, Dongshuai, Yu, Jiao, Jin, Zuquan, Hanif, Asad (2018) Molecular dynamics study on calcium silicate hydrate subjected to tension loading and water attack: structural evolution, dynamics degradation and reactivity mechanism. Physical Chemistry Chemical Physics, 20 (16). 11130-11144 doi:10.1039/c7cp08634b
	Zhang, Yu, Li, Tao, Hou, Dongshuai, Zhang, Jinglin, Jiang, Jinyang (2018) Insights on magnesium and sulfate ions’ adsorption on the surface of sodium alumino-silicate hydrate (NASH) gel: a molecular dynamics study. Physical Chemistry Chemical Physics, 20 (27). 18297-18310 doi:10.1039/c8cp02469c
	Hou, Dongshuai, Yang, Tiejun (2018) A reactive molecular dynamics study of graphene oxide sheets in different saturated states: structure, reactivity and mechanical properties. Physical Chemistry Chemical Physics, 20 (16). 11053-11066 doi:10.1039/c8cp00813b
	Zhou, Yang, Hou, Dongshuai, Jiang, Jinyang, She, Wei, Yu, Jiao (2017) Reactive molecular simulation on the calcium silicate hydrates/polyethylene glycol composites. Chemical Physics Letters, 687. 184-187 doi:10.1016/j.cplett.2017.09.020
	Sun, Yajing, Shuai, Zhigang, Wang, Dong (2018) Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics. Physical Chemistry Chemical Physics, 20 (20). 14024-14030 doi:10.1039/c8cp01840e
	Zheng, Qi, Jiang, Jinyang, Hou, Dongshuai, Wu, Shengping, Wang, Fengjuan, Yan, Yiru, Sun, Wei (2017) Formation and Structure of Inhibitive Molecular Film of Oxadiazole on Iron Surface. The Journal of Physical Chemistry C, 121 (39). 21420-21429 doi:10.1021/acs.jpcc.7b06378
	Tunega, Daniel, Zaoui, Ali (2011) Understanding of bonding and mechanical characteristics of cementitious mineral tobermorite from first principles. Journal of Computational Chemistry, 32 (2). 306-314 doi:10.1002/jcc.21622