Polymer glass formation: Role of activation free energy, configurational entropy, and collective motion
WS Xu, JF Douglas, ZY Sun - Macromolecules, 2021 - ACS Publications
We provide a perspective on polymer glass formation, with an emphasis on models in which
the fluid entropy and collective particle motion dominate the theoretical description and data …
the fluid entropy and collective particle motion dominate the theoretical description and data …
Fast dynamics in a model metallic glass-forming material
We investigate the fast β-and Johari–Goldstein (JG) β-relaxation processes, along with the
elastic scattering response of glass-forming (GF) liquids and the boson peak, in a simulated …
elastic scattering response of glass-forming (GF) liquids and the boson peak, in a simulated …
The interfacial zone in thin polymer films and around nanoparticles in polymer nanocomposites
We perform coarse-grained simulations of model unentangled polymer materials to quantify
the range over which interfaces alter the structure and dynamics in the vicinity of the …
the range over which interfaces alter the structure and dynamics in the vicinity of the …
When crystals flow
Semicrystalline polymers are solids that are supposed to flow only above their melting
temperature. By using confinement within nanoscopic cylindrical pores, we show that a …
temperature. By using confinement within nanoscopic cylindrical pores, we show that a …
The initiation of shear band formation in deformed metallic glasses from soft localized domains
It has long been thought that shear band (SB) formation in amorphous solids initiates from
relatively “soft” regions in the material in which large-scale non-affine deformations become …
relatively “soft” regions in the material in which large-scale non-affine deformations become …
Activation free energy gradient controls interfacial mobility gradient in thin polymer films
We examine the mobility gradient in the interfacial region of substrate-supported polymer
films using molecular dynamics simulations and interpret these gradients within the string …
films using molecular dynamics simulations and interpret these gradients within the string …
Universal nature of dynamic heterogeneity in glass-forming liquids: A comparative study of metallic and polymeric glass-forming liquids
Glass-formation is a ubiquitous phenomenon that is often observed in a broad class of
materials ranging from biological matter to commonly encountered synthetic polymer, as …
materials ranging from biological matter to commonly encountered synthetic polymer, as …
Superionic UO2: A model anharmonic crystalline material
Crystalline materials at elevated temperatures and pressures can exhibit properties more
reminiscent of simple liquids than ideal crystalline materials. Superionic crystalline materials …
reminiscent of simple liquids than ideal crystalline materials. Superionic crystalline materials …
Investigation of the temperature dependence of activation volume in glass-forming polymer melts under variable pressure conditions
Motivated by empirical observations suggesting that changes in the activation volume Δ V#
upon varying temperature (T), determined from the pressure (P) dependence of the …
upon varying temperature (T), determined from the pressure (P) dependence of the …
Localization model description of the interfacial dynamics of crystalline Cu and Cu64Zr36 metallic glass films
Recent studies of structural relaxation in Cu–Zr metallic glass materials having a range of
compositions and over a wide range of temperatures and in crystalline UO 2 under …
compositions and over a wide range of temperatures and in crystalline UO 2 under …