Yi Yang, Robert Nawrocki, Richard Voyles, Haiyan H. Zhang^*

CMES-Computer Modeling in Engineering & Sciences, Vol.125, No.2, pp. 515-539, 2020, DOI:10.32604/cmes.2020.010165

Abstract Equipped with a two-dimensional topological structure, a group of masses, springs and dampers can be demonstrated to model the internal dynamics of a thin-film transistor (TFT). In this paper, the two-dimensional Mass-Spring-Damper (MSD) representation of an inverted staggered TFT is proposed to explore the TFT’s internal stress/strain distributions, and the stress-induced effects on TFT’s electrical characteristics. The 2D MSD model is composed of a finite but massive number of interconnected cellular units. The parameters, such as mass, stiffness, and damping ratios, of each cellular unit are approximated from constitutive equations of the composite materials, while the electrical properties of the… More >

Chuntang Li¹, Yinsong Xu¹, Jiahao Tang¹, Wenjie Liu^1,2,*

Journal of Quantum Computing, Vol.1, No.2, pp. 49-63, 2019, DOI:10.32604/jqc.2019.06715

Abstract Quantum blockchain can be understood as a decentralized, encrypted and distributed database based on quantum computation and quantum information theory. Once the data is recorded in the quantum blockchain, it will not be maliciously tampered with. In recent years, the development of quantum computation and quantum information theory makes more and more researchers focus on the research of quantum blockchain. In this paper, we review the developments in the field of quantum blockchain, and briefly analyze its advantages compared with the classical blockchain. The construction and the framework of the quantum blockchain are introduced. Then we introduce the method of… More >

Cheng-Hung San¹, Chuang-Pin Chiu¹, Che-Wun Hong^1,2

CMC-Computers, Materials & Continua, Vol.26, No.3, pp. 167-186, 2011, DOI:10.3970/cmc.2011.026.167

Abstract An improvement in the catalytic process of oxygen reduction reactions is of prime importance for further progress in low temperature fuel cell performance. This paper intends to investigate this problem from a fundamental quantum mechanics viewpoint. For this purpose, a hybrid density functional theory is employed to analyze the catalytic mechanism of the oxygen reduction at the fuel cell cathode. Major steps in the oxygen reduction that include the oxygen adsorption on solid metal clusters (e.g. Cu and Pt) and complete four proton transfer steps are simulated. Proton transfer processes from hydroniums to the adsorbed oxygen molecules to produce water… More >

Che-Wun Hong^1,2, Chia-Yun Tsai¹

CMES-Computer Modeling in Engineering & Sciences, Vol.67, No.2, pp. 79-94, 2010, DOI:10.3970/cmes.2010.067.079

Abstract This paper describes the quantum mechanical simulation on the photonic properties of group-III nitride clusters, whose bulk types are common materials for light emitting diodes (LEDs). In order to emit different colors of light using the same semiconductor materials, it is possible to vary the band gap by controlling the quantum dot sizes or doping a third atom theoretically. Density functional theory (DFT) calculations are performed to analyze a set of binary (GaN)_n (3≤n≤32) and ternary In_xGa_1-xN (0≤x≤0.375) clusters to study their photonic characteristics. The ground state structures are optimized to calculate the binding energies using the time-independent DFT. Then… More >

G. Fitzgerald¹, G. Goldbeck-Wood², P. Kung¹, M. Petersen¹, L. Subramanian¹, J. Wescott²

CMES-Computer Modeling in Engineering & Sciences, Vol.24, No.2&3, pp. 169-184, 2008, DOI:10.3970/cmes.2008.024.169

Abstract Molecular modeling has established itself as an important component of applied research in areas such as drug discovery, catalysis, and polymers. Algorithmic improvements to these methods coupled with the increasing speed of computational hardware are making it possible to perform predictive modeling on ever larger systems. Methods are now available that are capable of modeling hundreds of thousands of atoms, and the results can have a significant impact on real-world engineering problems. The article reviews some of the modeling methods currently in use; provides illustrative examples of applications to challenges in sensors, fuel cells, and nanocomposites; and finally discusses prospects… More >