Over the past two decades, naturalistically minded philosophers have expended a fair amount of ______________________________ This paper presents the leading idea of my doctoral dissertation and thus has been shaped by the reactions of all the members of my thesis committee: Charles Chastain, Walter Edelberg, W. Kent Wilson, Dorothy Grover, and Charles Marks. I am especially grateful for the he...

The phonon transport property is a foundation of understanding a material and predicting the potential application in mirco/nano devices. In this paper, the thermal transport property of borophene is investigated by combining first-principle calculations and phonon Boltzmann transport equation. At room temperature, the lattice thermal conductivity of borophene is found to be about 14.34 W/mK (e...

Preprocessing techniques for formulas in conjunctive normal form play an important role in first-order theorem proving. To speed up the proving process, these techniques simplify a formula without affecting its satisfiability or unsatisfiability. In this paper, we introduce the principle of implication modulo resolution, which allows us to lift several preprocessing techniques—in particular, se...

A neural network predictive control scheme is compared with a first principle model predictive control strategy when controlling a three tanks system. The neural network approach involves a recurrent Elman network for capturing the plant’s dynamics being the learning stage implemented on-line using a modified version of the back-propagation through time algorithm. In the first principle model p...

We propose a first principle computation of the equilibrium thermodynamics of simple fragile glasses starting from the two body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being built of m atoms, and having a gyration radius (related to the cage size) which vanishes at zero temperature. We use a small cage expan...

In this paper we propose a microscopic model to study the polymerization of microtubules (MTs). Starting from fundamental reactions during MT’s assembly and disassembly processes, we systematically derive a nonlinear system of equations that determines the dynamics of microtubules in 3D. We found that the dynamics of a MT is mathematically expressed via a cubic-quintic nonlinear Schrödinger (NL...

Conventional work on scienti c discovery such as BACON derives empirical law equations from experimental data. In recent years, SDS introducing mathematical admissibility constraints has been proposed to discover rst principle based law equations, and it has been further extended to discover law equations from passively observed data. Furthermore, SSF has been proposed to discover the structure...

First principle calculations were performed to investigate structural, IR, and elastic properties of hydrous ringwoodite and their evolution with pressure up to 36 GPa. Hydrogen defects are introduced by creating Mgor Si-vacancies Mg1.875H0.25SiO4, Mg1.75H0.5SiO4 and Mg2Si0.875H0.5O4. Energy considerations imply that the Mg-vacancy coupled substitution will be the easiest to form, but, in the E...

The first-principle calculations were performed to investigate the structural, mechanical, electronic and thermal properties of the binary ductile intermetallic compound CeAg with B2 (CsCl) structure. The calculated value of lattice constant a0 for CeAg with generalized gradient approximation is 3.713 Å, which is in better agreement with experimental data than local spin density approximation. ...

In DUV photolithography, mask patterns and processes are increasing in complexity, while IC critical dimensions continue to shrink at a rapid pace. As a result, the proportional variability of the gate CD will increase to unacceptable levels unless a more sophisticated means of advanced process control is introduced. The proposed process control framework exploits scatterometry, which provides ...