Open Access. Powered by Scholars. Published by Universities.®

Nanoscience and Nanotechnology Commons™

Open Access. Powered by Scholars. Published by Universities.®

Purdue University

Discipline
Keyword
Publication Year
Publication
Publication Type
File Type

Articles 301 - 330 of 541

Full-Text Articles in Nanoscience and Nanotechnology

Observation Of Nonclassical Scaling Laws In The Quality Factors Of Cantilevered Carbon Nanotube Resonators, Ajit Vallabhaneni, Jeff Rhoads, Jayathi Y. Murthy, Xiulin Ruan Aug 2011

Observation Of Nonclassical Scaling Laws In The Quality Factors Of Cantilevered Carbon Nanotube Resonators, Ajit Vallabhaneni, Jeff Rhoads, Jayathi Y. Murthy, Xiulin Ruan

Birck and NCN Publications

This work examines the quality factors (Q factors) of resonance associated with the axial and transverse vibrations of single-wall carbon nanotube (SWCNT) resonators through the use of molecular dynamics (MD) simulation. Specifically, the work investigates the effect of device length, diameter, and chirality, as well as temperature, on the resonant frequency and quality factor of these devices and benchmarks the results of MD simulations against classical theories of energy dissipation. The quality factor (Q) associated with transverse vibration is found to increase with increasing device length (Q similar to L(theta), where 0.8 < theta < 1.4) and decrease with increasing device diameter (Q similar to D(-mu), where 1.4 < mu < 1.6), while the Q associated with axial vibration is almost independent of length and diameter. We show that to accurately predict temperature dependence of Q, the external and internal energies need to be properly decomposed, and temperature quantum correction should be performed. For both vibrational modes, Q shows a temperature dependence Q similar to T(-alpha), where alpha > 1 when below Debye temperature due to quantum …

Go to article

Atomic-Layer-Deposited Al2o3 On Bi2te3 For Topological Insulator Field-Effect Transistors, Han Liu, Peide D. Ye Aug 2011

Atomic-Layer-Deposited Al2o3 On Bi2te3 For Topological Insulator Field-Effect Transistors, Han Liu, Peide D. Ye

Birck and NCN Publications

We report dual-gate modulation of topological insulator field-effect transistors (TI FETs) made on Bi2Te3 thin flakes with integration of atomic-layer-deposited (ALD) Al2O3 high-k dielectric. Atomic force microscopy study shows that ALD Al2O3 is uniformly grown on this layer-structured channel material. Electrical characterization reveals that the right selection of ALD precursors and the related surface chemistry play a critical role in device performance of Bi2Te3 based TI FETs. We realize both top-gate and bottom-gate control on these devices, and the highest modulation rate of 76.1% is achieved by using simultaneous dual gate control. (C) 2011 American Institute of Physics. [doi:10.1063/1.3622306]

Go to article

Dislocation Pinning Effects Induced By Nano-Precipitates During Warm Laser Shock Peening: Dislocation Dynamic Simulation And Experiments, Yiliang Liao, Chang Ye, Huang Gao, Bong-Joong Kim, Sergey Suslov, Eric A. Stach, Gary J. Cheng Jul 2011

Dislocation Pinning Effects Induced By Nano-Precipitates During Warm Laser Shock Peening: Dislocation Dynamic Simulation And Experiments, Yiliang Liao, Chang Ye, Huang Gao, Bong-Joong Kim, Sergey Suslov, Eric A. Stach, Gary J. Cheng

Birck and NCN Publications

Warm laser shock peening (WLSP) is a new high strain rate surface strengthening process that has been demonstrated to significantly improve the fatigue performance of metallic components. This improvement is mainly due to the interaction of dislocations with highly dense nanoscale precipitates, which are generated by dynamic precipitation during the WLSP process. In this paper, the dislocation pinning effects induced by the nanoscale precipitates during WLSP are systematically studied. Aluminum alloy 6061 and AISI 4140 steel are selected as the materials with which to conduct WLSP experiments. Multiscale discrete dislocation dynamics (MDDD) simulation is conducted in order to investigate the …

Go to article

Periodically Changing Morphology Of The Growth Interface In Si, Ge, And Gap Nanowires, C-Y Wen, J. Tersoff, K. Hillerich, M.C. Reuter, J. H. Park, S. Kodambaka, Eric Stach, F.M. Ross Jul 2011

Periodically Changing Morphology Of The Growth Interface In Si, Ge, And Gap Nanowires, C-Y Wen, J. Tersoff, K. Hillerich, M.C. Reuter, J. H. Park, S. Kodambaka, Eric Stach, F.M. Ross

Birck and NCN Publications

Nanowire growth in the standard < 111 > direction is assumed to occur at a planar catalyst-nanowire interface, but recent reports contradict this picture. Here we show that a nonplanar growth interface is, in fact, a general phenomenon. Both III-V and group IV nanowires show a distinct region at the trijunction with a different orientation whose size oscillates during growth, synchronized with step flow. We develop an explicit model for this structure that agrees well with experiment and shows that the oscillations provide a direct visualization of catalyst supersaturation. We discuss the implications for wire growth and structure.

Go to article

Direct Simulation Monte Carlo Study Of Effects Of Thermal Nonuniformities In Electron-Beam Physical Vapor Deposition, A. Venkattraman, Alina A. Alexeenko Jul 2011

Direct Simulation Monte Carlo Study Of Effects Of Thermal Nonuniformities In Electron-Beam Physical Vapor Deposition, A. Venkattraman, Alina A. Alexeenko

Birck and NCN Publications

In a typical electron-beam physical vapor deposition system, there is limited control over how the high-power electron beam heats the metal surface. This leads to thermal nonuniformities at the melt. Three-dimensional direct simulation Monte Carlo simulations were performed with the aim of quantifying the effect of such spatial variations of source temperature in thin film depositions using an electron-beam physical vapor deposition system. The source temperature distribution from a typical deposition process was used in the direct simulation Monte Carlo simulations performed for various mass flow rates. The use of an area-averaged temperature is insufficient for all mass flow rates …

Go to article

Schottky-Barrier Height Modulation Of Metal/In0.53ga0.47as Interfaces By Insertion Of Atomic-Layer Deposited Ultrathin Al2o3, Runsheng Wang, Min Xu, Peide D. Ye, Ru Huang Jul 2011

Schottky-Barrier Height Modulation Of Metal/In0.53ga0.47as Interfaces By Insertion Of Atomic-Layer Deposited Ultrathin Al2o3, Runsheng Wang, Min Xu, Peide D. Ye, Ru Huang

Birck and NCN Publications

The improvement of the metal/InGaAs interface is essential for the future application of InGaAs metal source/drain Schottky-barrier metal-oxide-semiconductor field-effect-transistors. In this article, on In0.53Ga0.47As, the authors examine the recently proposed method of inserting an ultrathin insulator to modulate the effective Schottky-barrier height (SBH) at the metal/semiconductor interface. Both n-type and p-type In0.53Ga0.47As are investigated by inserting an atomic-layer deposited Al2O3 interlayer. The results indicate that SBH modulation is more effective at the n-InGaAs interface than the p-InGaAs interface for the same Al2O3 thickness. However, the Fermi level at the metal/InGaAs interface is still weakly pinned even after inserting 2 nm …

Go to article

Numerical Modeling Of Plasmonic Nanoantennas With Realistic 3d Roughness And Distortion, Alexander V. Kildishev, Joshua D. Borneman, Kuo-Ping Chen, Vladimir P. Drachev Jul 2011

Numerical Modeling Of Plasmonic Nanoantennas With Realistic 3d Roughness And Distortion, Alexander V. Kildishev, Joshua D. Borneman, Kuo-Ping Chen, Vladimir P. Drachev

Birck and NCN Publications

Nanostructured plasmonic metamaterials, including optical nanoantenna arrays, are important for advanced optical sensing and imaging applications including surface-enhanced fluorescence, chemiluminescence, and Raman scattering. Although designs typically use ideally smooth geometries, realistic nanoantennas have nonzero roughness, which typically results in a modified enhancement factor that should be involved in their design. Herein we aim to treat roughness by introducing a realistic roughened geometry into the finite element (FE) model. Even if the roughness does not result in significant loss, it does result in a spectral shift and inhomogeneous broadening of the resonance, which could be critical when fitting the FE simulations …

Go to article

Scattering Mechanisms In A High-Mobility Low-Density Carbon-Doped (100) Gaas Two-Dimensional Hole System, J. D. Watson, S. Mondal, G. A. Csathy, M. J. Manfra, E. H. Hwang, S. Das Sarma, L. N. Pfeiffer, K. W. West Jun 2011

Scattering Mechanisms In A High-Mobility Low-Density Carbon-Doped (100) Gaas Two-Dimensional Hole System, J. D. Watson, S. Mondal, G. A. Csathy, M. J. Manfra, E. H. Hwang, S. Das Sarma, L. N. Pfeiffer, K. W. West

Birck and NCN Publications

We report on a systematic study of the density dependence of mobility in a low-density carbon-doped (100) GaAs two-dimensional hole system (2DHS). At T = 50 mK, a mobility of 2.6 x 10(6) cm(2)/Vs at a density p = 6.2 x 10(10)cm(-2) was measured. This is the highest mobility reported for a 2DHS to date. Using a backgated sample geometry, the density dependence of mobility was studied from 2.8 x 10(10) cm(-2) to 1 x 10(11) cm(-2). The mobility vs density cannot be fit to a power law dependence of the form alpha similar to p(alpha) using a single exponent …

Go to article

Supersymmetry Identifies Molecular Stark States Whose Eigenproperties Can Be Obtained Analytically, Mikhail Lemeshko, Mustafa Mustafa, Sabre Kais, Bretislav Friedrich Jun 2011

Supersymmetry Identifies Molecular Stark States Whose Eigenproperties Can Be Obtained Analytically, Mikhail Lemeshko, Mustafa Mustafa, Sabre Kais, Bretislav Friedrich

Birck and NCN Publications

We made use of supersymmetric (SUSY) quantum mechanics to find the condition under which the Stark effect problem for a polar and polarizable closed-shell diatomic molecule subjected to collinear electrostatic and nonresonant radiative fields becomes exactly solvable. The condition Delta omega = omega(2)/4(m+1)(2) connects values of the dimensionless parameters omega and Delta omega that characterize the strengths of the permanent and induced dipole interactions of the molecule with the respective fields. The exact solutions are obtained for the vertical bar(J) over tilde = m, m; omega, Delta omega > family of 'stretched' states. The field-free and strong-field limits of the combined-fields …

Go to article

Room Temperature Device Performance Of Electrodeposited Insb Nanowire Field Effect Transistors, Suprem Das, Collin J. Delker, Dmitri Zakharov, Yong P. Chen, Timothy D. Sands, David B. Janes Jun 2011

Room Temperature Device Performance Of Electrodeposited Insb Nanowire Field Effect Transistors, Suprem Das, Collin J. Delker, Dmitri Zakharov, Yong P. Chen, Timothy D. Sands, David B. Janes

Birck and NCN Publications

InSb nanowires have been formed by electrodeposition in porous anodic alumina templates and employed as transistor channels. The 100 nm diameter nanowires had a zinc blende crystal structure. Single-nanowire field-effect transistors (NW-FETs) with a channel length of 500 nm exhibited on-currents of similar to 40 mu A, on/off ratios of similar to 16-20, drain conductances of similar to 71 mu S and field-effect electron mobility of similar to 1200 cm(2) V(-1) s(-1). Compared with reported NW-FETs, the on-current is large and the current saturation occurs at low source-drain voltages. These characteristics can be understood in terms of velocity saturation effects …

Go to article

Dynamics Of Entanglement In A Two-Dimensional Spin System, Qing Xu, Gehad Sadiek, Sabre Kais Jun 2011

Dynamics Of Entanglement In A Two-Dimensional Spin System, Qing Xu, Gehad Sadiek, Sabre Kais

Birck and NCN Publications

We consider the time evolution of entanglement in a finite two-dimensional transverse Ising model. The model consists of a set of seven localized spin-1/2 particles in a two-dimensional triangular lattice coupled through nearest-neighbor exchange interaction in the presence of an external time-dependent magnetic field. The magnetic field is applied in different function forms: step, exponential, hyperbolic, and periodic. We found that the time evolution of the entanglement shows an ergodic behavior under the effect of the time-dependent magnetic fields. Also, we found that while the step magnetic field causes great disturbance to the system, creating rapid oscillations, the system shows …

Go to article

Comparison Of Photothermal And Piezoacoustic Excitation Methods For Frequency And Phase Modulation Atomic Force Microscopy In Liquid Environments, A. Labuda, K. Kobayashi, Daniel Kiracofe, K. Suzuki, P. H. Gruetter, H. Yamada Jun 2011

Comparison Of Photothermal And Piezoacoustic Excitation Methods For Frequency And Phase Modulation Atomic Force Microscopy In Liquid Environments, A. Labuda, K. Kobayashi, Daniel Kiracofe, K. Suzuki, P. H. Gruetter, H. Yamada

Birck and NCN Publications

In attempting to perform frequency modulation atomic force microscopy (FM-AFM) in liquids, a non-flat phase transfer function in the self-excitation system prevents proper tracking of the cantilever natural frequency. This results in frequency-and-phase modulation atomic force microscopy (FPM-AFM) which lies in between phase modulation atomic force microscopy (PM-AFM) and FM-AFM. We derive the theory necessary to recover the conservative force and damping in such a situation, where standard FM-AFM theory no longer applies. Although our recovery procedure applies to all cantilever excitation methods in principle, its practical implementation may be difficult, or even impossible, if the cantilever is driven piezoacoustically. …

Go to article

Formation Of Silicon Nanodots Via Ion Beam Sputtering Of Ultrathin Gold Thin Film Coatings On Si, Osman El-Atwani, Sami Ortoleva, Alex Cimaroli, Jean Paul Allain May 2011

Formation Of Silicon Nanodots Via Ion Beam Sputtering Of Ultrathin Gold Thin Film Coatings On Si, Osman El-Atwani, Sami Ortoleva, Alex Cimaroli, Jean Paul Allain

Birck and NCN Publications

Ion beam sputtering of ultrathin film Au coatings used as a physical catalyst for self-organization of Si nanostructures has been achieved by tuning the incident particle energy. This approach holds promise as a scalable nanomanufacturing parallel processing alternative to candidate nanolithography techniques. Structures of 11- to 14-nm Si nanodots are formed with normal incidence low-energy Ar ions of 200 eV and fluences above 2 x 10(17) cm(-2). In situ surface characterization during ion irradiation elucidates early stage ion mixing migration mechanism for nanodot self-organization. In particular, the evolution from gold film islands to the formation of ion-induced metastable gold silicide …

Go to article

Improving Near-Field Confinement Of A Bowtie Aperture Using Surface Plasmon Polaritons, Pornsak Srisungsitthisunti, Okan Ersoy, Xianfan Xu May 2011

Improving Near-Field Confinement Of A Bowtie Aperture Using Surface Plasmon Polaritons, Pornsak Srisungsitthisunti, Okan Ersoy, Xianfan Xu

Birck and NCN Publications

Bowtie aperture is known to produce subdiffraction-limited optical spot with high intensity. In this work, we investigate integrating a bowtie aperture with circular grooves to reduce the divergence of the near-field produced by the bowtie aperture. Numerical results indicate that surface waves reflected from circular grooves improve the field confinement of a bowtie aperture along the polarization axis. These circular grooves with period near half the wavelength of surface plasmon polaritons reduce the spot size by as much as 40% at distances between 20 and 100 nm from the surface and create a more symmetrical optical spot. (C) 2011 American …

Go to article

Chaos-Assisted Emission From Asymmetric Resonant Cavity Microlasers, Susumu Shinohara, Takahisa Harayama, Takehiro Fukushima, Martina Hentschel, Satoshi Sunada, Evgenii Narimanov May 2011

Chaos-Assisted Emission From Asymmetric Resonant Cavity Microlasers, Susumu Shinohara, Takahisa Harayama, Takehiro Fukushima, Martina Hentschel, Satoshi Sunada, Evgenii Narimanov

Birck and NCN Publications

We study emission from quasi-one-dimensional modes of an asymmetric resonant cavity that are associated with a stable periodic ray orbit confined inside the cavity by total internal reflection. It is numerically demonstrated that such modes exhibit directional emission, which is explained by chaos-assisted emission induced by dynamical tunneling. Fabricating semiconductor microlasers with an asymmetric resonant cavity, we experimentally demonstrate the selective excitation of the quasi-one-dimensional modes by employing the device structure to preferentially inject currents to these modes and observe directional emission in good accordance with the theoretical prediction based on chaos-assisted emission.

Go to article

Engineered Valley-Orbit Splittings In Quantum-Confined Nanostructures In Silicon, Rajib Rahman, J. Verdujin, Neerav Kharche, Gabriel Lansbergen, Purdue University Gerhard Klimeck, Lloyd Hollenberg, Sven Rogge May 2011

Engineered Valley-Orbit Splittings In Quantum-Confined Nanostructures In Silicon, Rajib Rahman, J. Verdujin, Neerav Kharche, Gabriel Lansbergen, Purdue University Gerhard Klimeck, Lloyd Hollenberg, Sven Rogge

Birck and NCN Publications

An important challenge in silicon quantum electronics in the few electron regime is the poten- tially small energy gap between the ground and excited orbital states in 3D quantum confined nanostructures due to the multiple valley degeneracies of the conduction band present in silicon. Understanding the “valley-orbit” (VO) gap is essential for silicon qubits, as a large VO gap prevents leakage of the qubit states into a higher dimensional Hilbert space. The VO gap varies considerably depending on quantum confinement, and can be engineered by external electric fields. In this work we investigate VO splitting experimentally and theoretically in a …

Go to article

Fabrication And Realistic Modeling Of Three-Dimensional Metal-Dielectric Composites, Mark D. Thoreson, Jieran R. Fang, Alexander V. Kildishev, Ludmila J. Prokopeva, Piotr Nyga, Uday K. Chettiar, Vladimir M. Shalaev, Vladimir P. Drachev May 2011

Fabrication And Realistic Modeling Of Three-Dimensional Metal-Dielectric Composites, Mark D. Thoreson, Jieran R. Fang, Alexander V. Kildishev, Ludmila J. Prokopeva, Piotr Nyga, Uday K. Chettiar, Vladimir M. Shalaev, Vladimir P. Drachev

Birck and NCN Publications

Historically, the methods used to describe the electromagnetic response of random, three-dimensional (3D), metal-dielectric composites (MDCs) have been limited to approximations such as effective-medium theories that employ easily-obtained, macroscopic parameters. Full-wave numerical simulations such as finite-difference time domain (FDTD) calculations are difficult for random MDCs due to the fact that the nanoscale geometry of a random composite is generally difficult to ascertain after fabrication. We have developed a fabrication method for creating semicontinuous metal films with arbitrary thicknesses and a modeling technique for such films using realistic geometries. We extended our two-dimensional simulation method to obtain realistic geometries of 3D …

Go to article

Particle-Hole Asymmetry Of Fractional Quantum Hall States In The Second Landau Level Of A Two-Dimensional Hole System, A. Kumar, N. Samkharadze, Gabor A. Csathy, Michael J. Manfra, L. N. Pfeiffer, K. W. West May 2011

Particle-Hole Asymmetry Of Fractional Quantum Hall States In The Second Landau Level Of A Two-Dimensional Hole System, A. Kumar, N. Samkharadze, Gabor A. Csathy, Michael J. Manfra, L. N. Pfeiffer, K. W. West

Birck and NCN Publications

We report the unambiguous observation of a fractional quantum Hall state in the Landau level of a two-dimensional-hole sample at the filling factor v = 8/3. We identified this state by a quantized Hall resistance and an activated temperature dependence of the longitudinal resistance and found an energy gap of 40 mK. Notably, the particle-hole conjugate state at filling factor v = 7/3 in our sample did not develop down to 6.9 mK. This observation is contrary to that in electron samples, in which the 7/3 state is typically more stable than the 8/3 state. We present evidence that the …

Go to article

Atomistic Approach To Alloy Scattering In Si(1-X)Ge(X), Saumitra R. Mehrotra, Abhijeet Paul, Gerhard Klimeck Apr 2011

Atomistic Approach To Alloy Scattering In Si(1-X)Ge(X), Saumitra R. Mehrotra, Abhijeet Paul, Gerhard Klimeck

Birck and NCN Publications

SiGe alloy scattering is of significant importance with the introduction of strained layers and SiGe channels into complementary metal-oxide semiconductor technology. However, alloy scattering has till now been treated in an empirical fashion with a fitting parameter. We present a theoretical model within the atomistic tight-binding representation for treating alloy scattering in SiGe. This approach puts the scattering model on a solid atomistic footing with physical insights. The approach is shown to inherently capture the bulk alloy scattering potential parameters for both n-type and p-type
carriers and matches experimental mobility data.

Go to article

First-Principles Analysis Of Zrn/Scn Metal/Semiconductor Superlattices For Thermoelectric Energy Conversion, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare Apr 2011

First-Principles Analysis Of Zrn/Scn Metal/Semiconductor Superlattices For Thermoelectric Energy Conversion, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare

Birck and NCN Publications

We present a first-principles density functional theory-based analysis of the electronic structure, vibrational spectra, and transport properties of ZrN/ScN metal/semiconductor superlattices aiming to understand its potential and suitability for thermoelectric applications. We demonstrate (a) the presence of Schottky barriers of 0.34 eV at the metal/semiconductor interface and (b) a large asymmetry in the electronic densities of states and flattening of electronic bands along the cross-plane directions near the Fermi energy of these superlattices, desirable for high Seebeck coefficient. The vibrational spectra of these superlattices show softening of transverse acoustic phonon modes along the growth direction and localization of ScN phonons …

Go to article

Decomposition Of Unitary Matrices For Finding Quantum Circuits: Application To Molecular Hamiltonians, Anmer Daskin, Sabre Kais Apr 2011

Decomposition Of Unitary Matrices For Finding Quantum Circuits: Application To Molecular Hamiltonians, Anmer Daskin, Sabre Kais

Birck and NCN Publications

Constructing appropriate unitary matrix operators for new quantum algorithms and finding the minimum cost gate sequences for the implementation of these unitary operators is of fundamental importance in the field of quantum information and quantum computation. Evolution of quantum circuits faces two major challenges: complex and huge search space and the high costs of simulating quantum circuits on classical computers. Here, we use the group leaders optimization algorithm to decompose a given unitary matrix into a proper-minimum cost quantum gate sequence. We test the method on the known decompositions of Toffoli gate, the amplification step of the Grover search algorithm, …

Go to article

Bifurcation-Based Mass Sensing Using Piezoelectrically-Actuated Microcantilevers, Vijay Kumar, J. William Boley, Yushi Yang, Hendrik Ekowaluyo, Jacob K. Miller, George T.C. Chiu, Jeff F. Rhoads Apr 2011

Bifurcation-Based Mass Sensing Using Piezoelectrically-Actuated Microcantilevers, Vijay Kumar, J. William Boley, Yushi Yang, Hendrik Ekowaluyo, Jacob K. Miller, George T.C. Chiu, Jeff F. Rhoads

Birck and NCN Publications

In conventional implementations, resonant chemical and biological sensors exploit chemomechanically-induced frequency shifts, which occur in linear systems, for analyte detection. In this letter, an alternative sensing approach, based upon dynamic transitions across saddle-node bifurcations is investigated. This technique not only has the potential to render improved sensor metrics but also to eliminate frequency tracking components from final device implementations. The present work details proof-of-concept experiments on bifurcation-based sensing, which were conducted using selectively functionalized, piezoelectrically-actuated microcantilevers. Preliminary results reveal the proposed sensing technique to be a viable alternative to existing resonant sensing methods. (C) 2011 American Institute of Physics. [doi:10.1063/1.3574920]

Go to article

Single Molecule In Vivo Analysis Of Toll-Like Receptor 9 And Cpg Dna Interaction, Jiji Chen, Suman Nag, Pierre-Alexandre Vidi, Joseph Irudayaraj Apr 2011

Single Molecule In Vivo Analysis Of Toll-Like Receptor 9 And Cpg Dna Interaction, Jiji Chen, Suman Nag, Pierre-Alexandre Vidi, Joseph Irudayaraj

Birck and NCN Publications

Toll-like receptor 9 (TLR9) activates the innate immune system in response to oligonucleotides rich in CpG whereas DNA lacking CpG could inhibit its activation. However, the mechanism of how TLR9 interacts with nucleic acid and becomes activated in live cells is not well understood. Here, we report on the successful implementation of single molecule tools, constituting fluorescence correlation/cross-correlation spectroscopy (FCS and FCCS) and photon count histogram (PCH) with fluorescence lifetime imaging (FLIM) to study the interaction of TLR9-GFP with Cy5 labeled oligonucleotide containing CpG or lacking CpG in live HEK 293 cells. Our findings show that i) TLR9 predominantly forms …

Go to article

Full Dispersion Versus Debye Model Evaluation Of Lattice Thermal Conductivity With A Landauer Approach, Changwook Jeong, Supriyo Datta, Mark S. Lundstrom Apr 2011

Full Dispersion Versus Debye Model Evaluation Of Lattice Thermal Conductivity With A Landauer Approach, Changwook Jeong, Supriyo Datta, Mark S. Lundstrom

Birck and NCN Publications

Using a full dispersion description of phonons, the thermal conductivities of bulk Si and Bi(2)Te(3) are evaluated using a Landauer approach and related to the conventional approach based on the Boltzmann transport equation. A procedure to extract a well-defined average phonon mean-free-path from the measured thermal conductivity and given phonon-dispersion is presented. The extracted mean-free-path has strong physical significance and differs greatly from simple estimates. The use of simplified dispersion models for phonons is discussed, and it is shown that two different Debye temperatures must be used to treat the specific heat and thermal conductivity (analogous to the two different …

Go to article

Electronic Structure, Vibrational Spectrum, And Thermal Properties Of Yttrium Nitride: A First-Principles Study, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare Apr 2011

Electronic Structure, Vibrational Spectrum, And Thermal Properties Of Yttrium Nitride: A First-Principles Study, Bivas Saha, Timothy D. Sands, Umesh V. Waghmare

Birck and NCN Publications

Yttrium nitride (YN) is a promising semiconductor for use in metal/semiconductor superlattices for thermoelectric applications. We determine its electronic structure, vibrational spectrum, and thermal properties using first-principles density functional theory (DFT) based simulations with a generalized gradient approximation (GGA) of the exchange correlation energy. We employ GGA+U and GW approximations in our calculations to (a) improve the accuracy of the calculation of bandgaps and (b) determine specific features of its electronic structure relevant to transport properties, such as transverse (m(t)*) and longitudinal (m(1)*) conduction band effective mass. To evaluate consequences of forming alloys of YN with other materials to its …

Go to article

An Atomistic Study Of Thermal Conductance Across A Metal-Graphene Nanoribbon Interface, Zhen Huang, Timothy S. Fisher, Jayathi Y. Murthy Apr 2011

An Atomistic Study Of Thermal Conductance Across A Metal-Graphene Nanoribbon Interface, Zhen Huang, Timothy S. Fisher, Jayathi Y. Murthy

Birck and NCN Publications

This paper presents an atomistic Green's function study of phonon transport through a heterogeneous interface between bulk TiC substrates and graphene nanoribbons (GNRs). The force constants that govern the lattice dynamical equations are obtained from first-principles density functional theory (DFT) calculations and then optimized for the Green's function formulation. Phonon vibrational properties of TiC and GNRs are investigated by lattice dynamics calculations with optimized force constants that correlate well to direct DFT results. Thermal conductances of TiC-GNR-TiC systems are studied together with TiC-GNR structures. The conductances of TiC-GNR interfaces are normalized by ribbon width and are found to converge. The …

Go to article

Calculation Of Single Chain Cellulose Elasticity Using Fully Atomistic Modeling, Xiawa Wu, Robert Moon, Ashlie Martini Apr 2011

Calculation Of Single Chain Cellulose Elasticity Using Fully Atomistic Modeling, Xiawa Wu, Robert Moon, Ashlie Martini

Birck and NCN Publications

Cellulose nanocrystals, a potential base material for green nanocomposites, are ordered bundles of cellulose chains. The properties of these chains have been studied for many years using atomic-scale modeling. However, model predictions are difficult to interpret because of the significant dependence of predicted properties on model details. The goal of this study is to begin to understand these dependencies. We focus on the investigation on model cellulose chains with different lengths and having both periodic and nonperiodic boundary conditions, and predict elasticity in the axial (chain) direction with three commonly used calculation methods. We find that chain length, boundary conditions, …

Go to article

Distributed Negf Algorithms For The Simulation Of Nanoelectronic Devices With Scattering, Stephen Cauley, Mathieu Luisier, Venkataramanan Balakrishnan, Gerhard Klimeck, Cheng-Kok Koh Mar 2011

Distributed Negf Algorithms For The Simulation Of Nanoelectronic Devices With Scattering, Stephen Cauley, Mathieu Luisier, Venkataramanan Balakrishnan, Gerhard Klimeck, Cheng-Kok Koh

Birck and NCN Publications

Through the Non-Equilibrium Green’s Function (NEGF) formalism, quantum- scale device simulation can be performed with the inclusion of electron-phonon scattering. However, the simulation of realistically sized devices under the NEGF formalism typically requires prohibitive amounts of memory and computation time. Two of the most demanding computational problems for NEGF simulation involve mathematical operations with structured matrices called semiseparable matrices. In this work, we present parallel approaches for these computational problems which allow for efficient distribution of both memory and computation based upon the underlying device structure. This is critical when simulating realistically sized devices due to the aforementioned computational burdens. …

Go to article

Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck Mar 2011

Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck

Birck and NCN Publications

Ultra-thin-body (UTB) channel materials of a few nanometers in thickness are currently considered as candidates for future electronic, thermoelectric, and optoelectronic applications. Among the features that they possess, which make them attractive for such applications, their confinement length scale, transport direction, and confining surface orientation serve as degrees of freedom for engineering their electronic properties. This work presents a comprehensive study of hole velocities in p-type UTB films of widths from 15 nm down to 3 nm. Various transport and surface orientations are considered. The atomistic sp3d5s*-spin-orbit-coupled tight-binding model is used for the electronic structure, and a semiclassical ballistic model …

Go to article

Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck, Hans Kosina Mar 2011

Subband Engineering For P-Type Silicon Ultra-Thin Layers For Increased Carrier Velocities: An Atomistic Analysis, Neophytos Neophytou, Gerhard Klimeck, Hans Kosina

Other Nanotechnology Publications

Ultra-thin-body (UTB) channel materials of a few nanometers in thickness are currently considered as candidates for future electronic, thermoelectric, and optoelectronic applications. Among the features that they possess, which make them attractive for such applications, their confinement length scale, transport direction, and confining surface orientation serve as degrees of freedom for engineering their electronic properties. This work presents a comprehensive study of hole velocities in p-type UTB films of widths from 15 nm down to 3 nm. Various transport and surface orientations are considered. The atomistic sp3d5s*-spin-orbit-coupled tight-binding model is used for the electronic structure, and a semiclassical ballistic model …

Go to article

First Prev Next Last