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https://www.readbyqxmd.com/read/28721724/addressing-the-environment-electrostatic-effect-on-ballistic-electron-transport-in-large-systems-a-qm-mm-negf-approach
#1
Gustavo T Feliciano, Carlos Sanz-Navarro, Mauricio Domingues Coutinho-Neto, Pablo Ordejón, Ralph H Scheicher, Alexandre Reily Rocha
The effects of the environment in nanoscopic materials can play a crucial role in device design. Particularly in biosensors, where the system is usually embedded in a solution, water and ions have to be taken into consideration in atomistic simulations of electronic transport for a realistic description of the system. In this work, we present a methodology that combines quantum mechanics/molecular mechanics methods (QM/MM) with the nonequilibrium Green's function framework to simulate the electronic transport properties of nanoscopic devices in the presence of solvents...
July 19, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28720003/current-trends-in-the-management-of-ballistic-fractures-of-the-hand-and-wrist-experiences-of-a-high-volume-level-i-trauma-center
#2
Paul A Ghareeb, Charles Daly, Albert Liao, Diane Payne
BACKGROUND: Ballistic fractures of the carpus and hand are routinely treated in large urban centers. These injuries can be challenging due to many factors. Various treatment options exist for these complicated injuries, but there are limited data available. This report analyzes patient demographics, treatments, and outcomes at a large urban trauma center. METHODS: All ballistic fractures of the hand and wrist of the patients who presented to a single center from 2011 to 2014 were retrospectively reviewed...
March 1, 2017: Hand: Official Journal of the American Association for Hand Surgery
https://www.readbyqxmd.com/read/28719843/atomic-scale-modeling-of-electrically-doped-p-i-n-fet-from-adenine-based-single-wall-nanotube
#3
Debarati Dey, Pradipta Roy, Debashis De
The Field Effect Transistor (FET) characteristics has been observed from a single-walled Adenine nanotube device using Density Functional Theory associated with Non Equilibrium Green's Function based First Principle approach. This device is electrically doped which shows both n and p channel characteristics of a p-i-n FET. This device is designed and originated from a single-walled biomolecular nanotube structure. The p and n regions have been induced at the two ends of the device using electrical doping process...
July 10, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28713458/trunk-strength-characteristics-of-elite-alpine-skiers-a-comparison-with-physically-active-controls
#4
Carolin Hildebrandt, Lisa Müller, Christian Heisse, Christian Raschner
Core muscle imbalances and weak trunk strength are relevant for injury prevention and performance. Information regarding core strength requirements and ideal flexion/extension ratios in alpine skiing is limited. We aimed to compare trunk strength capacities in elite alpine skiers with those of a matched control group. The concentric maximal trunk flexion and extension of 109 elite skiers and 47 active controls were measured at 150°/s in a ballistic mode using the CON-TREX® TP 1000 test system. The relative flexion peak torque was higher in male ski racers (p = 0...
June 2017: Journal of Human Kinetics
https://www.readbyqxmd.com/read/28709315/heat-perturbation-spreading-in-the-fermi-pasta-ulam-%C3%AE-system-with-next-nearest-neighbor-coupling-competition-between-phonon-dispersion-and-nonlinearity
#5
Daxing Xiong
We employ the heat perturbation correlation function to study thermal transport in the one-dimensional Fermi-Pasta-Ulam-β lattice with both nearest-neighbor and next-nearest-neighbor couplings. We find that such a system bears a peculiar phonon dispersion relation, and thus there exists a competition between phonon dispersion and nonlinearity that can strongly affect the heat correlation function's shape and scaling property. Specifically, for small and large anharmoncities, the scaling laws are ballistic and superdiffusive types, respectively, which are in good agreement with the recent theoretical predictions; whereas in the intermediate range of the nonlinearity, we observe an unusual multiscaling property characterized by a nonmonotonic delocalization process of the central peak of the heat correlation function...
June 2017: Physical Review. E
https://www.readbyqxmd.com/read/28703138/spin-diffusion-from-an-inhomogeneous-quench-in-an-integrable-system
#6
Marko Ljubotina, Marko Žnidarič, Tomaž Prosen
Generalized hydrodynamics predicts universal ballistic transport in integrable lattice systems when prepared in generic inhomogeneous initial states. However, the ballistic contribution to transport can vanish in systems with additional discrete symmetries. Here we perform large scale numerical simulations of spin dynamics in the anisotropic Heisenberg XXZ spin 1/2 chain starting from an inhomogeneous mixed initial state which is symmetric with respect to a combination of spin reversal and spatial reflection...
July 13, 2017: Nature Communications
https://www.readbyqxmd.com/read/28703121/quasiballistic-quantum-transport-through-ge-si-core-shell-nanowires
#7
Dharmraj Kotekar-Patil, Binh-Minh Nguyen, Jinkyoung Yoo, Shadi A Dayeh, Sergey M Frolov
We study signatures of ballistic quantum transport of holes through Ge/Si core/shell nanowires at low temperatures. We observe Fabry-Perot interference patterns as well as conductance plateaus at integer multiples of 2e^2/h at zero magnetic field. Magnetic field evolution of these plateaus reveals relatively large effective Lande g-factors. Ballistic effects are observed in nanowires with silicon shell thicknesses of 1 - 3 nm, but not in bare germanium wires. These findings inform the future development of spin and topological quantum devices which rely on ballistic subband-resolved transport...
July 13, 2017: Nanotechnology
https://www.readbyqxmd.com/read/28702804/the-dft-negf-scrutiny-of-doped-fullerene-junctions
#8
Milanpreet Kaur, Ravinder Singh Sawhney, Derick Engles
Using the smallest non-classical fullerene, we investigate the impact of doping at the molecule-electrode interface on the electron transport of molecular junctions. This is accomplished by employing the density functional theory combined with the non-equilibrium Green's function. We contemplate different electronic parameters, namely, density of states, transmission coefficient, energy levels, molecular orbitals, conduction gaps, electron density, and their charge transfer. The relevance of these physical parameters is obtained to calculate their electrical parameters, current, and conductance, computed from Landauer-Büttiker formalism...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28702697/the-acute-effect-of-strength-exercises-at-different-intensities-on-intraocular-pressure
#9
Jesús Vera, Amador García-Ramos, Raimundo Jiménez, David Cárdenas
BACKGROUND: This study aimed to determine the effect of two basic strength exercises with progressive loads on intraocular pressure (IOP). METHODS: Seventeen (out of 20 recruited) physically active male military officers (46 ± 4.77 years) performed the jump squat and the ballistic bench press exercises, in counterbalanced order, with four and five progressive loads, respectively. IOP was measured with a rebound tonometer before and after each of the corresponding loads...
July 12, 2017: Graefe's Archive for Clinical and Experimental Ophthalmology
https://www.readbyqxmd.com/read/28701719/dynamic-gene-expression-response-to-altered-gravity-in-human-t-cells
#10
Cora S Thiel, Swantje Hauschild, Andreas Huge, Svantje Tauber, Beatrice A Lauber, Jennifer Polzer, Katrin Paulsen, Hartwin Lier, Frank Engelmann, Burkhard Schmitz, Andreas Schütte, Liliana E Layer, Oliver Ullrich
We investigated the dynamics of immediate and initial gene expression response to different gravitational environments in human Jurkat T lymphocytic cells and compared expression profiles to identify potential gravity-regulated genes and adaptation processes. We used the Affymetrix GeneChip® Human Transcriptome Array 2.0 containing 44,699 protein coding genes and 22,829 non-protein coding genes and performed the experiments during a parabolic flight and a suborbital ballistic rocket mission to cross-validate gravity-regulated gene expression through independent research platforms and different sets of control experiments to exclude other factors than alteration of gravity...
July 12, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28701531/differential-contributions-to-the-interception-of-occluded-ballistic-trajectories-by-the-temporoparietal-junction-area-hmt-v5-and-the-intraparietal-cortex
#11
Sergio Delle Monache, Francesco Lacquaniti, Gianfranco Bosco
The ability to catch objects when transiently occluded from view suggests their motion can be extrapolated. Intraparietal cortex (IPS) plays a major role in this process along with other brain structures, depending on the task. For example, interception of objects under Earth's gravity effects may depend on time-to-contact predictions derived from integration of visual signals processed by hMT/V5+ with a-priori knowledge of gravity residing in the temporoparietal junction (TPJ). To investigate this issue further, we disrupted TPJ, hMT/V5+ and IPS activities with Transcranial Magnetic Stimulation (TMS) while subjects intercepted computer-simulated projectile trajectories perturbed randomly with either hypo- or hypergravity effects...
July 12, 2017: Journal of Neurophysiology
https://www.readbyqxmd.com/read/28692265/understanding-divergent-thermal-conductivity-in-single-polythiophene-chains-using-green-kubo-modal-analysis-and-sonification
#12
Wei Lv, Michael Winters, Freddy DeAngelis, Gil Weinberg, Asegun Henry
We used molecular dynamics simulations, the Green-Kubo Modal Analysis (GKMA) method as well as sonification to study the modal contributions to thermal conductivity in individual polythiophene chains. The simulations suggest that it is possible to achieve divergent thermal conductivity in individual polythiophene chains of certain lengths, with periodic boundary conditions. Application of the GKMA method further allowed for exact pinpointing of the modes responsible for the anomalous behavior. The analysis showed that transverse vibrations in the plane of the aromatic rings at low frequencies ~ 0...
July 10, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28689045/estimation-of-changes-in-breech-face-and-firing-pin-marks-over-consecutive-discharges-and-its-impact-on-an-ibis-%C3%A2-heritage%C3%A2-system
#13
Justin N Kirk, Eric F Law, Keith B Morris
When a firearm is discharged, the individual marks of the breech face and firing pin are imprinted onto the primer of the cartridge case. These individual marks are reproducible between shots; however, over a large number of consecutive shots, it has been observed that minute changes in these individual marks may occur. Changes in individual marks may affect an examiner in their ability to identify or eliminate and may change the magnitude of a likelihood ratio, depending on the system used by the laboratory, but the effect that these changes have on the Integrated Ballistic Identification System (IBIS(®)) is largely unknown...
June 29, 2017: Forensic Science International
https://www.readbyqxmd.com/read/28688435/influence-of-long-range-coulomb-interaction-in-velocity-map-imaging
#14
T Barillot, R Brédy, G Celep, S Cohen, I Compagnon, B Concina, E Constant, S Danakas, P Kalaitzis, G Karras, F Lépine, V Loriot, A Marciniak, G Predelus-Renois, B Schindler, C Bordas
The standard velocity-map imaging (VMI) analysis relies on the simple approximation that the residual Coulomb field experienced by the photoelectron ejected from a neutral or ion system may be neglected. Under this almost universal approximation, the photoelectrons follow ballistic (parabolic) trajectories in the externally applied electric field, and the recorded image may be considered as a 2D projection of the initial photoelectron velocity distribution. There are, however, several circumstances where this approximation is not justified and the influence of long-range forces must absolutely be taken into account for the interpretation and analysis of the recorded images...
July 7, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28686081/letter-to-the-editor-concerning-the-article-bar-velocities-capable-of-optimising-the-muscle-power-in-strength-power-exercises-by-loturco-pereira-abad-tabares-moraes-kobal-kitamura-nakamura-2017
#15
Slobodan Jaric, Amador Garcia Ramos
Loturco and co-workers (2017) recently published data in the Journal of Sports Sciences to present the optimum loading magnitudes regarding the maximization of the "mean propulsive power" of the leg and arm muscles. Among the most important findings were that (1) the recorded power in the squat and squat jump exercises was markedly low, (2) the optimum external load that maximized the power in the same exercises was close to 100% of body weight, while (3) the ballistic bench press throw revealed smaller power than the regular bench press typically performed with relatively low level of muscle activation towards the end of the propulsive lifting phase...
July 7, 2017: Journal of Sports Sciences
https://www.readbyqxmd.com/read/28683519/a-ballistics-examination-of-firearm-injuries-involving-breast-implants
#16
Christopher J Pannucci, Adam J Cyr, Neal G Moores, Jason B Young, Martin Szegedi
This ballistics study examines whether saline breast implants can decrease tissue penetration in firearm injuries. We hypothesize that the fluid column within a saline breast implant can alter bullet velocity and/or bullet pattern of mushrooming. The two experimental groups included saline implants with 7.4 cm projection and a no implant group. The experimental design allowed the bullet to pass-through an implant and into ballistics gel (n = 10) or into ballistics gel without passage through an implant (n = 11)...
July 6, 2017: Journal of Forensic Sciences
https://www.readbyqxmd.com/read/28681843/ballistic-superconductivity-in-semiconductor-nanowires
#17
Hao Zhang, Önder Gül, Sonia Conesa-Boj, Michał P Nowak, Michael Wimmer, Kun Zuo, Vincent Mourik, Folkert K de Vries, Jasper van Veen, Michiel W A de Moor, Jouri D S Bommer, David J van Woerkom, Diana Car, Sébastien R Plissard, Erik P A M Bakkers, Marina Quintero-Pérez, Maja C Cassidy, Sebastian Koelling, Srijit Goswami, Kenji Watanabe, Takashi Taniguchi, Leo P Kouwenhoven
Semiconductor nanowires have opened new research avenues in quantum transport owing to their confined geometry and electrostatic tunability. They have offered an exceptional testbed for superconductivity, leading to the realization of hybrid systems combining the macroscopic quantum properties of superconductors with the possibility to control charges down to a single electron. These advances brought semiconductor nanowires to the forefront of efforts to realize topological superconductivity and Majorana modes...
July 6, 2017: Nature Communications
https://www.readbyqxmd.com/read/28680080/phononic-fano-resonances-in-graphene-nanoribbons-with-local-defects
#18
Alexander V Savin, Yuri S Kivshar
We study the interaction between localized vibrational modes and propagating phonons in graphene nanoribbons with different types of localized internal and edge defects. We analyze discrete eigenmodes of the nanoribbons with defects and also employ direct numerical simulations of the ballistic phonon and heat transport. We observe a partial suppression of the phonon transport due to the so-called phononic Fano resonances originating from interference between localized and propagating phonons. We observe lower transmission for the defects which support larger number of localized eigenmodes...
July 5, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28679249/curvilinear-trajectory-estimation-of-a-supersonic-bullet-using-ballistic-shock-wave-arrivals-at-asynchronous-acoustic-sensor-nodes
#19
Kam W Lo
The trajectory of a supersonic bullet, which is subjected to drag and gravity, is curvilinear and the supersonic flight of the bullet generates a ballistic shock wave (SW). A model for the differential time of arrival (DTOA) of the SW at a pair of acoustic sensors is derived for a given bullet trajectory, which is fully described by seven parameters including the drag coefficient exponent and ballistic constant of the bullet. Assuming that the drag coefficient exponent is 0.5, the DTOA model is used to develop a nonlinear least-squares (NLS) method to estimate the other six trajectory parameters using DTOA of SW measurements from each node (which comprises a small acoustic sensor array) of an asynchronous sensor network...
June 2017: Journal of the Acoustical Society of America
https://www.readbyqxmd.com/read/28678466/graphene-and-graphene-analogs-toward-optical-electronic-spintronic-green-chemical-energy-material-sensing-and-medical-applications
#20
M Reza Rezapour, Chang Woo Myung, Jeonghun Yun, Amirreza Ghassami, Nannan Li, Seong Uk Yu, Amir Hajibabaei, Youngsin Park, Kwang S Kim
This spotlight discusses intriguing properties and diverse applications of graphene (Gr) and Gr analogs. Gr has brought us two-dimensional (2D) chemistry with its exotic 2D features of density of states. Yet, some of the 2D or 2D-like features can be seen on surfaces and at interfaces of bulk materials. The substrate on Gr and functionalization of Gr (including metal decoration, intercalation, doping, and hybridization) modify the unique 2D features of Gr. Despite abundant literature on physical properties and well-known applications of Gr, spotlight works based on the conceptual understanding of the 2D physical and chemical nature of Gr toward vast-ranging applications are hardly found...
July 14, 2017: ACS Applied Materials & Interfaces
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