Integrated atomistic process and device simulation of decananometre MOSFETs

In this paper we present a methodology for the integrated atomistic process and device simulation of decananometre MOSFETs. The atomistic process simulations were carried out using the kinetic Monte Carlo process simulator DADOS, which is now integrated into the Synopsys 3D process and device simulation suite Taurus. The device simulations were performed using the Glasgow 3D statistical atomistic simulator, which incorporates density gradient quantum corrections. The overall methodology is illustrated in the atomistic process and device simulation of a well behaved 35 nm physical gate length MOSFET reported by Toshiba

Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods

Weakly-bound intermolecular clusters constitute reductionist physical models for non-covalent interactions. Here we report the observation of the monomer, the dimer and the monohydrate of 2-adamantanol, a secondary alcohol with a bulky ten-carbon aliphatic skeleton. The molecular species were generated in a supersonic jet expansion and characterized using broadband chirped-pulse microwave spectroscopy in the 2–8 GHz frequency region. Two different gauche-gauche O-H···O hydrogen-bonded isomers were observed for the dimer of 2-adamantanol, while a single isomer was observed for the monomer and the monohydrate. The experimental rotational parameters were compared with molecular orbital calculations using density functional theory (B3LYP-D3(BJ), B2PLYP-D3(BJ), CAM-B3LYP-D3(BJ), ωB97XD), additionally providing energetic and electron density characterization. The shallow potential energy surface makes the dimer an interesting case study to benchmark dispersion-corrected computational methods and conformational search procedures

Simulations of energetic beam deposition: from picoseconds to seconds

We present a new method for simulating crystal growth by energetic beam deposition. The method combines a Kinetic Monte-Carlo simulation for the thermal surface diffusion with a small scale molecular dynamics simulation of every single deposition event. We have implemented the method using the effective medium theory as a model potential for the atomic interactions, and present simulations for Ag/Ag(111) and Pt/Pt(111) for incoming energies up to 35 eV. The method is capable of following the growth of several monolayers at realistic growth rates of 1 monolayer per second, correctly accounting for both energy-induced atomic mobility and thermal surface diffusion. We find that the energy influences island and step densities and can induce layer-by-layer growth. We find an optimal energy for layer-by-layer growth (25 eV for Ag), which correlates with where the net impact-induced downward interlayer transport is at a maximum. A high step density is needed for energy induced layer-by-layer growth, hence the effect dies away at increased temperatures, where thermal surface diffusion reduces the step density. As part of the development of the method, we present molecular dynamics simulations of single atom-surface collisions on flat parts of the surface and near straight steps, we identify microscopic mechanisms by which the energy influences the growth, and we discuss the nature of the energy-induced atomic mobility

Introducción al patrimonio geológico de interés turístico de la Red Española de Reservas de la Biosfera

160 p.Esta publicación se ha realizado con el objetivo de describir el origen y formación de una buena parte del patrimonio geológico de interés turístico de la Red Española de Reservas de la Biosfera para que éste sea conocido y pueda ser utilizado como motor de desarrollo económico local. La necesidad de dar a conocer este sorprendente patrimonio natural de la Red español de Reservas de la Biosfera fue constatada por su Consejo de Gestores que encargó el trabajo a su Consejo Científico. La publicación tiene la vocación de ser accesible para todos los públicos. Sin embargo, parte de un trabajo bibliográfico profundo abordado con una rigurosa metodología científica. Es además el fruto de una continua colaboración de los editores con las personas gestoras de las Reservas de la Biosfera españolas, así como con varios miembros de su Consejo Científico asesor.Instituto Geológico y Minero de España, Españ

Atomic scale simulations of arsenic ion implantation and annealing in silicon

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800{degrees}C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process

Triterpenos de las micromerias. III. Alcoholes triterpenicos de la micromeria benthami webb et berth

From the neutral extract of Micromeria benthami Webb and Berth, we have isolated $-sitosterol and betulin. We have also identified the lupeol, the a and$-amyrins and probably, erythrpdiol and or uvaol.Este trabajo ha sido realizado con la ayuda concedida por la Fundación Aguilar a uno de nosotros (A. G. G.)Peer reviewe