Papers – Page 9 – TechConnect Briefs

The Landauer Approach to the Critical Source-Channel Barrier in MOSFETs

Lundstrom M., Rhew J-H., Purdue University, US

A simple treatment of the nano-scale MOSFET in the spirit of the Landauer approach to transport in mesoscopic structures is described. First, the essential physics is illustrated by examining numerical simulations. Next, the analytical theory [...]

Self-consistent Modeling of Open Quantum Devices

Akis R., Shifren L., Ferry D.K., Arizona State University, US

In this paper, we describe a method of simulating electron transport in semiconductor devices that operate in the quantum regime. Specifically, devices formed in which the electrons are confined to two dimensions (2D) and transport [...]

The Use of a Green’s Function Formalism for the Simulation of Semiconductor Device Performance

Jovanovic D., Motorola, US

Non-equilibrium quantum transport simulation techniques (e.g. the generalized Kadanoff-Baym approach) have been in existence for over 40 years but have only recently become numerically viable for the simulation of semiconductor devices. This paper reports on [...]

Simulation of Wigner Function Transport in Tunneling and Quantum Structures

Jacoboni C., Bertoni A., Bordone P., Giacobbi N., University of Modena, IT

The Wigner-function approach to quantum transport in mesoscopic electron devices is presented. The concept of Wigner paths allows the formulation of a Monte Carlo simulation which is quantum mechanically rigorous and yet very similar to [...]

Coarse-Grained Molecular Dynamics and Multiscale Modeling of NEMS Resonators

Rudd R.E., Lawrence Livermore National Laboratory, US

We review concurrent multiscale simulations of dynamic and temperature-dependent processes found in nanomechanical systems coupled to larger scale surroundings. We focus on the behavior of sub-micron Micro-Electro-Mechanical Systems (MEMS), especially microresonators. These systems are often [...]

Kinetic Monte Carol Simulations of Protein Folding and Unfolding

Makarov D.E., Metiu H., U.C. Santa Barbara, US

We report here kinetic Monte Carlo (KMC) studies of two problems: (1) Unfolding of the protein titin under mechanical tension and (2) The formation of native contacts in the process of folding of small, single [...]

Monte Carlo Modeling of Thin Film Deposition: Factors that influence 3D islands

Gilmer G., Dalla Torre J., Baumann F.H., Lawrence Livermore National Laboratory, US

In this paper we discuss the use of atomistic Monte Carlo simulations to predict fim microstructure evolution. We discuss physical vapor deposition, and are primarily concerned with films that are formed by the nucleation and [...]

Effects of Steering in Metal Epitaxial Growth

Amar J., Yu J., University of Toledo, US

Recent experiments on metal epitaxial growth indicate that a high-angle of incidence the long-range attraction of the surface to incoming atoms can lead to steering effects near step-edges which significantly modify the growth and contribute [...]

Investigation of the Order Continuum of Quenched Silicon using Accelerated Molecular Dynamics Techniques

Choudhary D., Clancy P., Cornell University, US

The thermodynamic, electronic and structural properties of silicon phases are inextricably linked to the underlying order in the material. While the crystalline and amorphous phases are well characterized, the existence of a glassy silicon phase [...]

Multiscale Simulation of the Thermal Desorption of Large Molecules from Solid Surfaces

Fichthorn K., Miron R.A., Kulkarni A., Pennsylvania State University, US

We use molecular-dynamics simulations and importance sampling to obtain transition-state theory rate constants for thermal desorption of an n-alkane series from Pt(111). These simulations indicate that the binding of a large molecule to a solid [...]