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Jaffe, R.

Publications and source records attributed to Jaffe, R..

Thermophysics Issues Relevant to High-Speed Earth Entry of Large Asteroids

Physics of atmospheric entry of meteoroids was an active area of research at NASA ARC up to the early 1970s (e.g., the oft-cited work of Baldwin and Sheaffer). However, research in the area seems to have ended with the Apollo program, and any ties with an active international meteor physics community seem to have significantly diminished thereafter. In the decades following the 1970s, the focus of entry physics at NASA ARC has been on improvement of the math models of shock-layer physics (especially in chemical kinetics and radiation) and thermal response of ablative materials used for capsule heatshields. With the overarching objectives of understanding energy deposition into the atmosphere and fragmentation, could these modern analysis tools and processes be applied to the problem of atmospheric entry of meteoroids as well? In the presentation we will explore: (i) the physics of atmospheric entries of meteoroids using our current state-of-the-art tools and processes, (ii) how multiple bodies interact, and (iii) the influence of wall blowing on flow dynamics.

Atmospheric Entry

Meteor Entry and Breakup Based on Evolution of NASAs Entry Capsule Design Tools

Physics of atmospheric entry of meteoroids was an active area of research at NASA ARC up to the early 1970s (e.g., the oft-cited work of Baldwin and Sheaffer). However, research in the area seems to have ended with the Apollo program, and any ties with an active international meteor physics community seem to have significantly diminished thereafter. In the decades following the 1970s, the focus of entry physics at NASA ARC has been on improvement of the math models of shock-layer physics (especially in chemical kinetics and radiation) and thermal response of ablative materials used for capsule heatshields. With the overarching objectives of understanding energy deposition into the atmosphere and fragmentation, could these modern analysis tools and processes be applied to the problem of atmospheric entry of meteoroids as well? In the presentation we will explore: (i) the physics of atmospheric entries of meteoroids using our current state-of-the-art tools and processes, (ii) the influence of shape (and shape change) on flow characteristics, and (iii) how multiple bodies interact.

Prabku, Dinesh K.

Molecular Dynamics Simulations of Carbon Nanotubes in Water

We study the hydrophobic/hydrophilic behavior of carbon nanotubes using molecular dynamics simulations. The energetics of the carbon-water interface are mainly dispersive but in the present study augmented with a carbon quadrupole term acting on the charge sites of the water. The simulations indicate that this contribution is negligible in terms of modifying the structural properties of water at the interface. Simulations of two carbon nanotubes in water display a wetting and drying of the interface between the nanotubes depending on their initial spacing. Thus, initial tube spacings of 7 and 8 A resulted in a drying of the interface whereas spacing of > 9 A remain wet during the course of the simulation. Finally, we present a novel particle-particle-particle-mesh algorithm for long range potentials which allows for general (curvilinear) meshes and "black-box" fast solvers by adopting an influence matrix technique.

Walther, J. H.

Electronic Properties of Carbon Nanotubes and Junctions

Metallic and semiconducting Single Wall Carbon Nanotubes (CNT) have recently been characterized using scanning tunneling microscopy (STM) and the manipulation of individual CNT has been demonstrated. These developments make the prospect of using CNT as molecular wires and possibly as electronic devices an even more interesting one. We have been modeling various electronic properties such as the density of states and the transmission coefficient of CNT wires and junctions. These studies involve first calculating the stability of junctions using molecular dynamics simulations and then calculating the electronic properties using a pi-electron tight binding Hamiltonian. We have developed the expertise to calculate the electronic properties of both finite-sized CNT and CNT systems with semi-infinite boundary conditions. In this poster, we will present an overview of some of our results. The electronic application of CNT that is most promising at this time is their use as molecular wires. The conductance can however be greatly reduced because of reflection due to defects and contacts. We have modeled the transmission through CNT in the presence of two types of defects: weak uniform disorder and strong isolated scatterers. We find that the conductance is affected in significantly different manners due to these defects Junctions of CNT have also been imaged using STM. This makes it essential to derive rules for the formation of junctions between tubes of different chirality, study their relative energies and electronic properties. We have generalized the rules for connecting two different CNT and have calculated the transmission and density of states through CNT junctions. Metallic and semiconducting CNT can be joined to form a stable junction and their current versus voltage characteristics are asymmetric. CNT are deformed by the application of external forces including interactions with a substrate or other CNT. In many experiments, these deformation are expected to occur naturally. We will present some preliminary results of our calculations of the modification of CNT electronic properties as a result of deformations.

Anantram, M. P.

A Computational Chemistry Database for Semiconductor Processing

The concept of 'virtual reactor' or 'virtual prototyping' has received much attention recently in the semiconductor industry. Commercial codes to simulate thermal CVD and plasma processes have become available to aid in equipment and process design efforts, The virtual prototyping effort would go nowhere if codes do not come with a reliable database of chemical and physical properties of gases involved in semiconductor processing. Commercial code vendors have no capabilities to generate such a database, rather leave the task to the user of finding whatever is needed. While individual investigations of interesting chemical systems continue at Universities, there has not been any large scale effort to create a database. In this presentation, we outline our efforts in this area. Our effort focuses on the following five areas: 1. Thermal CVD reaction mechanism and rate constants. 2. Thermochemical properties. 3. Transport properties.4. Electron-molecule collision cross sections. and 5. Gas-surface interactions.

Jaffe, R.