Aluru N.R. – TechConnect Briefs

Molecular Dynamics Simulation of Bulk Silicon under Strain

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

In this paper, thermodynamical properties such as Helmholtz free energy and internal energy when the silicon crystal is subjected to a compression, stretch and a shear deformation are calculated using classical MD open source code [...]

Finite Temperature Quasicontinuum Method for Thermal and Mechanical Analysis of Silicon Nanostructures

Tang Z., Zhao H., Li G., Aluru N.R., University of Illinois at Urbana-Champaign, US

We formulate a finite temperature quasicontinuum method to calculate the thermodynamic and elastic properties of crystalline silicon as well as the mechanical response of silicon nanostructures subjected to externally applied forces. We solve the continuum [...]

A Coarse-Grained Tight Binding Method for Electrostatic Analysis of Nanoelectromechanical Systems (NEMS)

Xu Y., Li G., Aluru N.R., Beckman Institute for Advanced Science and Technology, US

Silicon electrostatic nanoelectromechanical systems (NEMS) are one of the emerging applications in nanotechnology. As the critical length of a NEM structure shrinks to less than a few nanometers, classical models based on continuum approximations become [...]

Multiscale Computation of Fluid and Ion Transport in Nanochannels: The Effect of Partial Charges

Joseph S., Chatterjee A.N., Aluru N.R., Beckman Institute of Advanced Science and Technology, US

We demonstrate a hierarchical multiscale methodology to solve ion transport in nanoscale channels and show that the partial charges from quantum calculations significantly alter transport properties and I-V plots for electrolytes in confined geometries. Effects [...]

Scaling of Electroosmotic Flow and Ionic Conductivity in Nanochannels

Qiao R., Aluru N.R., Beckman Institute for Advanced Science and Technology, US

Electrokinetic transport is widely encountered in many nanofluidic systems, and understanding its scaling as a function of various operating conditions, e.g., bulk concentration, is important for establishing design rules and for exploring the design space. [...]

Full-Lagrangian Based Newton Scheme for Dynamic Analysis of Electrostatic MEMS

De S.K., Aluru N.R., Beckman Institute for Advanced Science and Technoloy, US

A novel physical level simulation method for the dynamic analysis of MEMS based on a full Lagrangian description of both the mechanical and electrical domains and a Newton scheme to obtain a self-consistent solution at [...]

Circuit Modeling and Simulation of Integrated Microfluidic Systems

Chatterjee A.N., Aluru N.R., Beckman Institute, US

A combined circuit-device model for the analysis of integrated microfluidic system is presented. The complete model of an integrated microfluidic device incorporates modeling of the fluidic transport, chemical reaction, reagent mixing and separation. The microfluidic [...]

Static and Dynamic Analysis of Silicon NEMS

Tang Z., Aluru N.R., University of Illinois, US

Microelectromechanical systems (MEMS) have already revolutionized many areas including communications, information technology, medical, mechanical and aerospace technologies. Nanoelectromechanical systems (NEMS) are MEMS with submicron critical dimensions. NEMS have the potential to fundamentally change the way [...]

Ion Channel Based Biosensors: Ionic transport in carbon nanotubes

Joseph S., Mashl R.J., Jacobsson E., Aluru N.R., Beckman Institute of Advanced Science and Technology, US

Transport of molecules through macromolecular pores is of considerable importance in many biological and nano-electromechanical systems. Ion channels found in cell membranes are crucial for shaping electrical signals and controlling flow of ions and fluids [...]

Water Ordering by Confinement in Carbon Nanotubes at 300K: Implications for possible design of proton-conducting nano-semiconductors

Mashl R.J., Joseph S., Aluru N.R., Jakobsson E., University of Illinois, US

Molecular dynamics (MD) simulations suggest that water readily enters carbon nanotubes. This is also suggested by the fact that fluorescence in nanotubes is affected by the pH of external electrolyte. Distinctive symmetrical water structures emerge [...]