US – Page 444 – TechConnect Briefs

Transient Analysis of Electroosmotic Flow in Nano-diameter Channels

Qiao R., Aluru N.R., University of Illinois at Urbana-Champaign, US

Transient analysis of electroosmotic flow in a nano-diameter channel is presented. The time for flow to reach steady state in a nano-diameter channel for various Debye lengths is investigated by solving the Navier-Stokes equations in [...]

Numerical and Analytical Studies of AC Electric Field in Dielectrophoretic Electrode Arrays

Feng J.J., Krishnamoorthy S., Chen Z.J., Makhijani V.B., CFD Research Corporation, US

Manipulation of micro-sized particles and biological cells using dielectrophoresis (DEP) is an emerging technique in MEMS and nano technology[3]. This paper presents an exact solution of dielectrophoretic motion of a polarized particle in the vicinity [...]

What to do with Statistical Mechanics when the Figure of Merit Cannot be Calculated: Library Design for High-Throughput Materials Development

Deem M.W., University of California, Los Angeles, US

By analogy with Monte Carlo algorithms, we discuss new strategies for design and redesign of libraries in high-throughput experimentation, or combinatorial chemistry. Several Monte Carlo methods are examined, including Metropolis, several types of biased schemes, [...]

The Inverse Band Structure Approach: Given the desired electronic property, find the atomic configuration

Zunger A., National Renewable Energy Laboratory, US

Modern crystal-growth techniques, such as molecular beam epitaxy or metal-organic chemical-vapour deposition, are capable of producing prescribed crystal structures, sometimes even in defiance of equilibrium, bulk thermodynamics. These techniques open up the possibility of exploring [...]

The Number of Human Genes and Proteins

Davison D., Bristol-Myers Squibb, Pharmaceutical Research Institute, US

The definitive prototype for nanotechnology is the cell. Its many machines and exquisitely controlled internal and external movements are a reference for all researchers working in the field. The complete instructions for every molecular machine [...]

Complex Fluid Dynamics in BioMEMS Devices

Liepmann D., University of California-Berkeley, US

MEMS technologies promises to revolutionize health care by providing precise control of biological fluids for both diagnoses and treatments. For example, microneedles can be used for sample collection for biological analysis, delivery of cell or [...]

The Vision and Action Plan of the National Nanotechnology Initiative

Roco M., National Science Foundation, US

The vision of novel phenomena, unity in nature, and promise of the most efficient manufacturing length scale has been essential in establishing the multidisciplinary National Nanotechnology Initiative (NNI). The research opportunities and projections of their [...]

Continuum Solvation Model for ab initio Molecular Dynamics Simulations

Fattebert J-L., Gygi F., Lawrence Livermore National Laboratory, US

In electronic structure calculations, a polarizable solvent can be represented as a continuous homogeneous dielectric. In most models, the value of the dielectric presents a discontinuity at the solute-solvent interface. For first principles pseudopotential DFT [...]

Ab Initio and Improved Empirical Potentials for the Calculation of the Anharmonic Vibrational States and Intramolecular Mode Coupling of N-methylacetamide

Gregurick S.K., Chaban G.M., Gerber R.B., University of Maryland, US

The second-order M•oller-Plesset ab initio electronic structure method is used to compute points for the anharmonic mode-coupled potential energy surface of N-methylacetamide (NMA) in the transct configuration, including all degrees of freedom. The vibrational states [...]

Electronic Transport in Molecular Devices from First Principles

Di Ventra M., Lang N.D., Pantelides S.T., Virginia Tech, US

We present an overview of recent work by the authors in first-principles calculations of electronic transport in molecules for which experimental results are available. We find that the shape of the current-voltage characteristics is mostly [...]