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Displaying similar documents to “Internal Symmetries and Additional Quantum Numbers for Nanoparticles”

An inverse problem for adhesive contact and non-direct evaluation of material properties for nanomechanics applications

F.M. Borodich, B.A. Galanov, S.N. Gorb, M.Y. Prostov, Y.I. Prostov, M.M. Suarez-Alvarez (2012)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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We show how the values of the effective elastic modulus of contacting solids and the work of adhesion, that are the crucial material parameters for application of theories of adhesive contact to nanomechanics, may be quantified from a single test using a non-direct approach (the Borodich-Galanov (BG) method). Usually these characteristics are not determined from the same test, e.g. often sharp pyramidal indenters are used to determine the elastic modulus from a nanoindentation test,...

Signals generated in memristive circuits

Artur Sowa (2012)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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Signals generated in circuits that include nano-structured elements typically have strongly distinct characteristics, particularly the hysteretic distortion. This is due to memristance, which is one of the key electronic properties of nanostructured materials. In this article, we consider signals generated from a memrsitive circuit model. We demonstrate numerically that such signals can be efficiently represented in certain custom-designed nonorthogonal bases. The proposed method ensures...

Theory, Experiment and Computation of Half Metals for Spintronics: Recent Progress in Si-based Materials

C. Y. Fong, M. Shaughnessy, L. Damewood, L. H. Yang (2012)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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Since the term “spintronics” was conceived in 1996, there have been several directions taken to develop new semiconductor-based magnetic materials for device applications using spin, or spin and charge, as the operational paradigm. Anticipating their integration into mature semiconductor technologies, one direction is to make use of materials involving Si. In this review, we focus on the progress made, since 2005, in Si-based half metallic spintronic materials. In addition to commenting...

Efficient simulation of unidirectional pulse propagation in high-contrast nonlinear nanowaveguides

Jonathan Andreasen, Miroslav Kolesik (2013)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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This work demonstrates an improved method to simulate long-distance femtosecond pulse propagation in highcontrast nanowaveguides. Different from typical beam propagation methods, the foundational tool here is capable of simulating strong spatiotemporal waveform reshaping and extreme spectral dynamics. Meanwhile, the ability to fully capture effects due to index contrast in the transverse direction is retained, without requiring a decomposition of the electric field in terms of waveguide...

Multidisciplinary approaches in theory, applications and modeling of nanoscale systems

Roderick V.N. Melnik (2013)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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This editorial provides an overview of both fundamental and applied research areas covered by the journal of Nanoscale Systems: Mathematical Modeling, Theory and Applications (NanoMMTA), as well as of articles published in the journal inaugural volume. The unique feature of NanoMMTA is its focus on the interface between the study, development, and application of systems at the nanoscale with theoretical methods and experimental techniques on the one hand and mathematical, statistical,...

Mathematical Models for Sensing Devices Constructed out of Artificial Cell Membranes

William Hoiles, Vikram Krishnamurthy, Bruce Cornell (2012)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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This paper presents a review of ion channel based biosensors with a focus on the mathematical modeling of the stateof- the-art ion channel switch (ICS) biosensor and the novel cation specific (CS) sensor. The characteristics of the analyte present in the electrolyte, the ionic transport of chemical species, and the bioelectronic interface present in the ICS biosensor and CS sensor are modeled using ordinary and partial differential equations. The methodologies presented are important...

A numerically efficient approach to the modelling of double-Qdot channels

A. Shamloo, A.P. Sowa (2013)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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We consider the electronic properties of a system consisting of two quantum dots in physical proximity, which we will refer to as the double-Qdot. Double-Qdots are attractive in light of their potential application to spin-based quantum computing and other electronic applications, e.g. as specialized sensors. Our main goal is to derive the essential properties of the double-Qdot from a model that is rigorous yet numerically tractable, and largely circumvents the complexities of an ab...

Mesoscopic description of boundary effects in nanoscale heat transport

F.X. Àlvarez, V.A. Cimmelli, D. Jou, A. Sellitto (2012)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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We review some of the most important phenomena due to the phonon-wall collisions in nonlocal heat transport in nanosystems, and show how they may be described through certain slip boundary conditions in phonon hydrodynamics. Heat conduction in nanowires of different cross sections and in thin layers is analyzed, and the dependence of the thermal conductivity on the geometry, as well as on the roughness is pointed out. We also analyze the effects of the roughness of the surface of the...

Multi-core CPU or GPU-accelerated Multiscale Modeling for Biomolecular Complexes

Tao Liao, Yongjie Zhang, Peter M. Kekenes-Huskey, Yuhui Cheng, Anushka Michailova, Andrew D. McCulloch, Michael Holst, J. Andrew McCammon (2013)

Molecular Based Mathematical Biology

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Multi-scale modeling plays an important role in understanding the structure and biological functionalities of large biomolecular complexes. In this paper, we present an efficient computational framework to construct multi-scale models from atomic resolution data in the Protein Data Bank (PDB), which is accelerated by multi-core CPU and programmable Graphics Processing Units (GPU). A multi-level summation of Gaussian kernel functions is employed to generate implicit models for biomolecules....

On the derivation and mathematical analysis of some quantum–mechanical models accounting for Fokker–Planck type dissipation: Phase space, Schrödinger and hydrodynamic descriptions

José Luis López, Jesús Montejo–Gámez (2013)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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This paper is intended to provide the reader with a review of the authors’ latest results dealing with the modeling of quantum dissipation/diffusion effects at the level of Schrödinger systems, in connection with the corresponding phase space and fluid formulations of such kind of phenomena, especially in what concerns the role of the Fokker–Planck mechanism in the description of open quantum systems and the macroscopic dynamics associated with some viscous hydrodynamic models of Euler...

Quantum optimal control using the adjoint method

Alfio Borzì (2012)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

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Control of quantum systems is central in a variety of present and perspective applications ranging from quantum optics and quantum chemistry to semiconductor nanostructures, including the emerging fields of quantum computation and quantum communication. In this paper, a review of recent developments in the field of optimal control of quantum systems is given with a focus on adjoint methods and their numerical implementation. In addition, the issues of exact controllability and optimal...