Quantum initial condition sampling for linearized density matrix dynamics: Vibrational pure dephasing of iodine in krypton matrices

This paper reviews the linearized path integral approach for computing time dependent properties of systems that can be approximated using a mixed quantum-classical description. This approach is applied to studying vibrational pure dephasing of ground state molecular iodine in a rare gas matrix. The Feynman-Kleinert optimized harmonic approximation for the full system density operator is used to sample initial conditions for the bath degrees of freedom. This extremely efficient approach is compared with alternative initial condition sampling techniques at low temperatures where classical initial condition sampling yields dephasing rates that are nearly an order of magnitude too slow compared with quantum initial condition sampling and experimental results.Comment: 20 pages and 8 figure

Numerical framework for transcritical real-fluid reacting flow simulations using the flamelet progress variable approach

An extension to the classical FPV model is developed for transcritical real-fluid combustion simulations in the context of finite volume, fully compressible, explicit solvers. A double-flux model is developed for transcritical flows to eliminate the spurious pressure oscillations. A hybrid scheme with entropy-stable flux correction is formulated to robustly represent large density ratios. The thermodynamics for ideal-gas values is modeled by a linearized specific heat ratio model. Parameters needed for the cubic EoS are pre-tabulated for the evaluation of departure functions and a quadratic expression is used to recover the attraction parameter. The novelty of the proposed approach lies in the ability to account for pressure and temperature variations from the baseline table. Cryogenic LOX/GH2 mixing and reacting cases are performed to demonstrate the capability of the proposed approach in multidimensional simulations. The proposed combustion model and numerical schemes are directly applicable for LES simulations of real applications under transcritical conditions.Comment: 55th AIAA Aerospace Sciences Meeting, Dallas, T

Tour-based Travel Mode Choice Estimation based on Data Mining and Fuzzy Techniques

This paper extends tour-based mode choice model, which mainly includes individual trip level interactions, to include linked travel modes of consecutive trips of an individual. Travel modes of consecutive trip made by an individual in a household have strong dependency or co-relation because individuals try to maintain their travel modes or use a few combinations of modes for current and subsequent trips. Traditionally, tour based mode choice models involved nested logit models derived from expert knowledge. There are limitations associated with this approach. Logit models assumes i) specific model structure (linear utility model) in advance; and, ii) it holds across an entire historical observations. These assumptions about the predefined model may be representative of reality, however these rules or heuristics for tour based mode choice should ideally be derived from the survey data rather than based on expert knowledge/ judgment. Therefore, in this paper, we propose a novel data-driven methodology to address the issues identified in tour based mode choice. The proposed methodology is tested using the Household Travel Survey (HTS) data of Sydney metropolitan area and its performances are compared with the state-of-the-art approaches in this area

A New Solution of the Yang-Baxter Equation Related to the Adjoint Representation of UqB2U_{q}B_{2}

A new solution of the Yang-Baxter equation, that is related to the adjoint representation of the quantum enveloping algebra $U_{q}B_{2}$, is obtained by fusion formulas from a non-standard solution.Comment: 16 pages (Latex), Preprint BIHEP-TH-93-3