Shi-Jie Xie

Dr. Shi-Jie Xie


Research Focus & Metrics

Academic Career Length

11Years (2016-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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9 January 2017 in ACS Nano
Verified
Journal Article
Closed access
SCShiwang Cheng
Shiwang Cheng
SXShi-Jie Xie
Shi-Jie Xie
JCJan-Michael Y. Carrillo
Jan-Michael Y. Carrillo
BCBobby Carroll
Bobby Carroll
HMHalie Martin
Halie Martin
ASAlexei P. Sokolov
Alexei P. Sokolov

30 January 2024 in Nature Water
Verified
Journal Article
Closed access
PDF file
YJYan-Li Ji
Yan-Li Ji
BGBing-Xin Gu
Bing-Xin Gu
HHHui-Qian Huo
Hui-Qian Huo
SXShi-Jie Xie
Shi-Jie Xie
HPHuawen Peng
Huawen Peng
Quan-Fu AnQuan-Fu An
Quan-Fu An




17 January 2020 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
PDF file
SXShi-Jie Xie
Shi-Jie Xie
KSKenneth S. Schweizer
Kenneth S. Schweizer
We propose a microscopic theory for the decoupling of self-diffusion and structural relaxation in glass-forming liquids within the Elastically Collective Nonlinear Langevin Equation (ECNLE) activated dynamics framework. Our central hypothesis is that the heterogeneity relevant to this problem is static fluctuations of local density on the scale of 3–4 particle diameters and how this changes local packing correlations. These fluctuations modify the degree of dynamical cage expansion that mechanistically couples intracage large amplitude hopping and longer range collective elasticity in ECNLE theory. Decoupling only emerges in the deeply supercooled regime where the strongly temperature dependent elastic barrier becomes non-negligible relative to its noncooperative local analog. The theory makes predictions for various aspects of the decoupling phenomenon, including apparent fractional power law Stokes-Einstein behavior, that appear to be consistent with experiments and simulations on hard sphere fluids and molecular liquids. Of central importance is a microscopic connection between the barrier fluctuation variance and most probable barrier height. Sensible results are also obtained for the nonexponential stretching of a generic relaxation time correlation function and its temperature evolution. Nonuniversality can arise from the relative importance of the local and collective barriers (related to fragility) and the precise magnitude of the length scale that defines the transition from local cage to elastic physics. Comparison is made with a traplike model based on a Gaussian distribution of barriers.