Salvaging of Large Bell of D Furnace of TATA Steel

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

“…These quantities can be determined either from quasiclassical trajectory simulations or from numerical solutions of the nuclear Schrödinger equation. For both approaches, suitable reviews exist. − …”

“…Alternatively, in a time-dependent quantum mechanical (TDQM) approach, ,, an initial wave function is written as superposition of wave functions (i.e., wave packet) and the wave packet (WP) is propagated in time and finally, the flux is calculated at the product/reactant channels to determine the reaction probabilities. The most widely used representation is based on Gaussian coherent states which cover a range of energies.…”

Quantum and Classical Dynamics of the N(2D) + N2 Reaction on Its Ground Doublet State N3(12A″) Potential Energy Surface

“…However, in CS calculations the centrifugal barrier is inevitable. This is due to the fact that N K is always equal to one, and thus the centrifugal barrier is independent of N K . A comparison of reaction probabilities obtained through QCT-GB (red color circles) and QCT-HB (green color squares) is also presented in Figure .…”

“…Standard QCT methodology for atom–diatom collisions is followed in this work. Since the QCT theory is well described in the literature, − only a brief description is given here. The fourth-order Runge–Kutta method is implemented to solve Hamilton’s equations of motion, with a step size of 0.05 fs which guaranteed necessary conservation of total energy and total angular momentum for the trajectories.…”

“…Semiclassical theory of bound states is used to determine the rovibrational states for the reactant and product diatoms. The assignment of final quantum numbers for products is done via two binning schemes, histogram binning (HB) and Gaussian binning (GB). ,, Due to the fair consistency between the HB and GB results reported in the next section, no attempt is here made to use the modified GB (mGB) approach suggested elsewhere . For cross-sectional calculations, a stratified sampling scheme , is invoked to sample impact parameters.…”