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Full-Text Articles in Physics
Study Of Local Structure, Stress And Dynamics In Disordered Materials Using Ab-Initio And Molecular Dynamics Simulation, Madhusudan Ojha
Study Of Local Structure, Stress And Dynamics In Disordered Materials Using Ab-Initio And Molecular Dynamics Simulation, Madhusudan Ojha
Doctoral Dissertations
Understanding the atomic structure and dynamics in structurally disordered systems has been a long-standing and most challenging problem in physics and material science. To begin with, it is difficult to describe disorder quantitatively and to differentiate the degree of disorder from one system to another. The majorities of experimental and theoretical approaches to the study of disordered systems are either transferred directly from the study of crystals or address the problem in the macroscopic scale where the atomic origin of behavior is obscured. First principle atomic level stresses and dynamic pair distribution functions described in this dissertation represent attempts to …
Dynamical Properties Of Ferroelectric Perovskites (Ba,Sr)Tio3 And Pb(Zr,Ti)O3 Systems From First Principles, Jeevaka Weerasinghe
Dynamical Properties Of Ferroelectric Perovskites (Ba,Sr)Tio3 And Pb(Zr,Ti)O3 Systems From First Principles, Jeevaka Weerasinghe
Graduate Theses and Dissertations
A first-principles-based effective Hamiltonian scheme which incorporates coupling between ferroelectric (FE) and antiferrodistortive (AFD) motions is applied to Pb(Zr,Ti)O3 alloys. It validates the existence of two modes of E symmetry (rather than the single E(1TO) soft mode) in the 50-75 cm-1 range for temperatures smaller than 200 K and for compositions falling within the Rhombohedral R3c phase. Coupling between long-range-ordered FE and AFD motions is shown to be the cause of the additional mode and more insight into its nature is provided. This scheme is further used to reveal a field-induced anticrossing involving FE and AFD degrees of …
Agent-Based Modeling Of Emergency Building Evacuation, Vi Q. Ha
Agent-Based Modeling Of Emergency Building Evacuation, Vi Q. Ha
Master's Theses
Panic during emergency building evacuation can cause crowd stampede, resulting in serious injuries and casualties. Agent-based methods have been successfully employed to investigate the collective human behavior during emergency evacuation in cases where the configurational space is extremely simple - usually one rectangular room - but not in evacuations of multi-room or multi-floor buildings. This implies that the effect of the complexity of building architecture on the collective behavior of the agents during evacuation has not been fully investigated. Here, we employ a system of self-moving particles whose motion is governed by the social-force model to investigate the effect of …