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https://www.readbyqxmd.com/read/29775331/extrapolation-to-nonequilibrium-from-coarse-grained-response-theory
#1
Urna Basu, Laurent Helden, Matthias Krüger
Nonlinear response theory, in contrast to linear cases, involves (dynamical) details, and this makes application to many-body systems challenging. From the microscopic starting point we obtain an exact response theory for a small number of coarse-grained degrees of freedom. With it, an extrapolation scheme uses near-equilibrium measurements to predict far-from-equilibrium properties (here, second order responses). Because it does not involve system details, this approach can be applied to many-body systems...
May 4, 2018: Physical Review Letters
https://www.readbyqxmd.com/read/29775313/force-field-for-water-based-on-neural-network
#2
Hao Wang, Weitao Yang
We developed a novel neural network based force field for water based on training with high level ab initio theory. The force field was built based on electrostatically embedded many-body expansion method truncated at binary interactions. Many-body expansion method is a common strategy to partition the total Hamiltonian of large systems into a hierarchy of few-body terms. Neural networks were trained to represent electrostatically embedded one-body and two-body interactions, which require as input only one and two water molecule calculations at the level of ab initio electronic structure method CCSD/aug-cc-pVDZ embedded in the molecular mechanics water environment, making it efficient as a general force field construction approach...
May 18, 2018: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/29774594/in-vivo-characterization-of-3d-skull-and-brain-motion-during-dynamic-head-vibration-using-magnetic-resonance-elastography
#3
Ziying Yin, Yi Sui, Joshua D Trzasko, Phillip J Rossman, Armando Manduca, Richard L Ehman, John Huston
PURPOSE: To introduce newly developed MR elastography (MRE)-based dual-saturation imaging and dual-sensitivity motion encoding schemes to directly measure in vivo skull-brain motion, and to study the skull-brain coupling in volunteers with these approaches. METHODS: Six volunteers were scanned with a high-performance compact 3T-MRI scanner. The skull-brain MRE images were obtained with a dual-saturation imaging where the skull and brain motion were acquired with fat- and water-suppression scans, respectively...
May 17, 2018: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/29752240/evaluating-internal-model-strength-and-performance-of-myoelectric-prosthesis-control-strategies
#4
Ahmed W Shehata, Erik J Scheme, Jonathon W Sensinger
On-going developments in myoelectric prosthesis control have provided prosthesis users with an assortment of control strategies that vary in reliability and performance. Many studies have focused on improving performance by providing feedback to the user but have overlooked the effect of this feedback on internal model development, which is key to improve long-term performance. In this paper, the strength of internal models developed for two commonly used myoelectric control strategies: raw control with raw feedback (using a regression-based approach) and filtered control with filtered feedback (using a classifier-based approach), were evaluated using two psychometric measures: trial-by-trial adaptation and just-noticeable difference...
May 2018: IEEE Transactions on Neural Systems and Rehabilitation Engineering
https://www.readbyqxmd.com/read/29747417/damage-mechanisms-and-mechanical-properties-of-high-strength-multiphase-steels
#5
Sebastian Heibel, Thomas Dettinger, Winfried Nester, Till Clausmeyer, A Erman Tekkaya
The usage of high-strength steels for structural components and reinforcement parts is inevitable for modern car-body manufacture in reaching lightweight design as well as increasing passive safety. Depending on their microstructure these steels show differing damage mechanisms and various mechanical properties which cannot be classified comprehensively via classical uniaxial tensile testing. In this research, damage initiation, evolution and final material failure are characterized for commercially produced complex-phase (CP) and dual-phase (DP) steels in a strength range between 600 and 1000 MPa...
May 9, 2018: Materials
https://www.readbyqxmd.com/read/29744809/identification-of-a-feature-selection-based-pattern-recognition-scheme-for-finger-movement-recognition-from-multichannel-emg-signals
#6
Geethanjali Purushothaman, Raunak Vikas
This paper focuses on identification of an effective pattern recognition scheme with the least number of time domain features for dexterous control of prosthetic hand to recognize the various finger movements from surface electromyogram (EMG) signals. Eight channels EMG from 8 able-bodied subjects for 15 individuals and combined finger activities have been considered in this work. In this work, an attempt has been made to recognize a number of classes with the least number of features. Therefore, EMG signals are pre-processed using dual tree complex wavelet transform to improve the discriminating capability of features and time domain features such as zero crossing, slope sign change, mean absolute value, and waveform length is extracted from the pre-processed data...
May 9, 2018: Australasian Physical & Engineering Sciences in Medicine
https://www.readbyqxmd.com/read/29741579/characterizing-the-saddlebag-deformity-after-lower-body-lift
#7
Stephanie E Dreifuss, Omar E Beidas, J Peter Rubin, Jeffrey A Gusenoff
Background: One of the commonly cited sequelae of lower body lift is recurrence of the saddlebag deformity. However, there is currently no data that characterizes the evolution of the saddlebag following lower body lift, nor is there a classification scheme to objectively quantify the severity of the deformity. Objectives: The authors aim to develop a grading scale to score the severity of the saddlebag deformity and, using this, determine the short- and long-term changes in the saddlebag following lower body lift...
May 8, 2018: Aesthetic Surgery Journal
https://www.readbyqxmd.com/read/29740163/directional-subradiance-from-helical-phase-imprinted-multiphoton-states
#8
H H Jen
We theoretically investigate the far-field scattering properties of multiphoton super- and subradiant states which can be prepared by multiphoton excitations with orbital angular momentum (OAM). Due to multiphoton interference, the far-field patterns of the subradiant modes show directional scattering along the excitation direction or transverse scattering with number of peaks equal to the number of atoms. When more atoms are involved, we consider structures of stacked and concentric rings, which respectively show enhanced directional scattering and smoothed emission patterns...
May 8, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29736092/a-contact-formulation-based-on-a-volumetric-potential-application-to-isogeometric-simulations-of-atrioventricular-valves
#9
David Kamensky, Fei Xu, Chung-Hao Lee, Jinhui Yan, Yuri Bazilevs, Ming-Chen Hsu
This work formulates frictionless contact between solid bodies in terms of a repulsive potential energy term and illustrates how numerical integration of the resulting forces is computationally similar to the "pinball algorithm" proposed and studied by Belytschko and collaborators in the 1990s. We thereby arrive at a numerical approach that has both the theoretical advantages of a potential-based formulation and the algorithmic simplicity, computational efficiency, and geometrical versatility of pinball contact...
March 1, 2018: Computer Methods in Applied Mechanics and Engineering
https://www.readbyqxmd.com/read/29729666/prevention-of-exertional-lower-body-musculoskeletal-injury-in-tactical-populations-protocol-for-a-systematic-review-and-planned-meta-analysis-of-prospective-studies-from-1955-to-2018
#10
Shawn D Flanagan, Aaron M Sinnott, Kellen T Krajewski, Caleb D Johnson, Shawn R Eagle, Alice D LaGoy, Meaghan E Beckner, Anne Z Beethe, Rose Turner, Mita Lovalekar, Courtenay Dunn-Lewis, Chris Connaboy, Bradley C Nindl
BACKGROUND: Exertional lower body musculoskeletal injuries (ELBI) cost billions of dollars and compromise the readiness and job performance of military service and public safety workers (i.e., tactical populations). The prevalence and burden of such injuries underscores the importance of prevention efforts during activities necessary to sustain core occupational competencies. Attempts to synthesize prevention techniques specific to tactical populations have provided limited insight on the comparative efficacy of interventions that do not modify physical training practices...
May 5, 2018: Systematic Reviews
https://www.readbyqxmd.com/read/29727172/quantitative-prediction-of-optical-absorption-in-molecular-solids-from-an-optimally-tuned-screened-range-separated-hybrid-functional
#11
Arun K Manna, Sivan Refaely-Abramson, Anthony Martin Reilly, Alexandre Tkatchenko, Jeffrey B Neaton, Leeor Kronik
We show that fundamental gaps and optical spectra of molecular solids can be predicted quantitatively and non-empirically within the framework of time-dependent density functional theory (TDDFT), using the recently-developed optimally-tuned screened range-separated hybrid (OTSRSH) approach. In this scheme, the electronic structure of the gas-phase molecule is determined by optimal tuning of the range-separation parameter in a range-separated hybrid functional. Screening and polarization in the solid-state are taken into account by adding long-range dielectric screening to the functional form, with the modified functional used to perform self-consistent periodic-boundary calculations for the crystalline solid...
May 4, 2018: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29724570/prevalence-of-smoking-in-sudanese-individuals-with-diabetes-and-associated-complications-population-based-study
#12
Heitham Awadalla, Ahmed O Almobarak, Mohamed H Ahmed
INTRODUCTION: Smoking cigarettes and diabetes are major public health problems in Sudan. Smoking is associated with insulin resistance and can be associated with type 2 diabetes. The aim of this study was to investigate the prevalence of smoking in individuals with diabetes and associated complications. METHODOLOGY: a descriptive analytical cross-sectional study, included 315 of participants with diabetes. The data collection was performed to gather demographic information, prevalence of smoking and presence of complications...
April 24, 2018: Diabetes & Metabolic Syndrome
https://www.readbyqxmd.com/read/29724405/zeta-potentials-of-the-rare-earth-element-fluorcarbonate-minerals-focusing-on-bastn%C3%A3-site-and-parisite
#13
REVIEW
C L Owens, G R Nash, K Hadler, R S Fitzpatrick, C G Anderson, F Wall
Rare earth elements (REE) are critical to a wide range of technologies ranging from mobile phones to wind turbines. Processing and extraction of REE minerals from ore bodies is, however, both challenging and relatively poorly understood, as the majority of deposits contain only limited enrichment of REEs. An improved understanding of the surface properties of the minerals is important in informing and optimising their processing, in particular for separation by froth flotation. The measurement of zeta potential can be used to extract information regarding the electrical double layer, and hence surface properties of these minerals...
April 20, 2018: Advances in Colloid and Interface Science
https://www.readbyqxmd.com/read/29715965/application-of-toluene-lif-to-transonic-nozzle-flows-to-identify-zones-of-incomplete-molecular-mixing
#14
Matthias Beuting, Judith Richter, Bernhard Weigand, Thomas Dreier, Christof Schulz
Toluene laser-induced fluorescence (LIF) has been applied to image the mixing deficit on the molecular level in the transonic wake of two different blunt-body injectors in a compressible accelerated nozzle flow. A single-color excitation and two-color detection scheme is employed to measure the signal red-shift caused by the quenching effect of molecular oxygen on the fluorescence of toluene, which reduces and red-shifts the LIF signal if both substances interact on a molecular level. To this end, toluene is injected alternatingly with O2 -contaning and O2 -free carrier gas into the air main flow...
April 16, 2018: Optics Express
https://www.readbyqxmd.com/read/29710790/hybrid-multi-channel-mac-protocol-for-wbans-with-inter-wban-interference-mitigation
#15
Thien Thi Thanh Le, Sangman Moh
Herein, we propose a hybrid multi-channel medium access control (HM-MAC) protocol for wireless body area networks (WBANs) that mitigates inter-WBAN interference significantly. In HM-MAC, a superframe consists of a random access phase and a scheduled access phase. That is, a carrier sensing multiple access with collision avoidance (CSMA/CA) phase and a time division multiple access (TDMA) phase are included in a superframe. The random access phase allows higher-priority users to transmit data packets with low latency and high reliability...
April 28, 2018: Sensors
https://www.readbyqxmd.com/read/29705947/provably-secure-heterogeneous-access-control-scheme-for-wireless-body-area-network
#16
Anyembe Andrew Omala, Angolo Shem Mbandu, Kamenyi Domenic Mutiria, Chunhua Jin, Fagen Li
Wireless body area network (WBAN) provides a medium through which physiological information could be harvested and transmitted to application provider (AP) in real time. Integrating WBAN in a heterogeneous Internet of Things (IoT) ecosystem would enable an AP to monitor patients from anywhere and at anytime. However, the IoT roadmap of interconnected 'Things' is still faced with many challenges. One of the challenges in healthcare is security and privacy of streamed medical data from heterogeneously networked devices...
April 28, 2018: Journal of Medical Systems
https://www.readbyqxmd.com/read/29700548/molecular-dynamics-simulation-of-charged-colloids-confined-between-hard-walls-pre-melting-and-pre-freezing-across-the-bcc-fluid-coexistence
#17
Mojtaba Eshraghi, Jürgen Horbach
Molecular dynamics (MD) computer simulations are used to study the structure of hard-core Yukawa systems confined between two parallel hard walls. States around the coexistence between a fluid and a body-centered cubic (BCC) crystal are considered. In all cases a pronounced layering in the vicinity of the walls is observed. Using a thermodynamic integration scheme, we determine the wall-fluid interfacial free energy γ which is negative and monotonically decreasing with increasing bulk density of the fluid...
April 27, 2018: Soft Matter
https://www.readbyqxmd.com/read/29694779/the-interplay-between-polarizability-and-hydrogen-bond-network-of-water-reparametrizing-the-flexible-single-point-charge-water-model-by-the-nonlinear-adaptive-force-matching-approach
#18
I-Shou Huang, Ming-Kang Tsai
An adaptive force matching (AFM) scheme using the nonlinear optimization to re-parameterize the three-site, flexible and polarizable single-point-charge (SPC) water model is reported. We compare the radial distribution functions of the intermolecular oxygen-oxygen, oxygen-hydrogen and hydrogen-hydrogen distances with the recent scattering experiments [Soper 2013 and Skinner 2013-14], the previous AFM-fitting water model - MP2f [Akin-Ojo 2008] and the atomic multipole expanded AMOEBA model. Our non-polarizable SPC-3f(0) model captures the feature of the first solvation shell of bulk water...
April 25, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29694179/proposal-for-quantum-simulation-via-all-optically-generated-tensor-network-states
#19
I Dhand, M Engelkemeier, L Sansoni, S Barkhofen, C Silberhorn, M B Plenio
We devise an all-optical scheme for the generation of entangled multimode photonic states encoded in temporal modes of light. The scheme employs a nonlinear down-conversion process in an optical loop to generate one- and higher-dimensional tensor network states of light. We illustrate the principle with the generation of two different classes of entangled tensor network states and report on a variational algorithm to simulate the ground-state physics of many-body systems. We demonstrate that state-of-the-art optical devices are capable of determining the ground-state properties of the spin-1/2 Heisenberg model...
March 30, 2018: Physical Review Letters
https://www.readbyqxmd.com/read/29694129/deep-potential-molecular-dynamics-a-scalable-model-with-the-accuracy-of-quantum-mechanics
#20
Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, Weinan E
We introduce a scheme for molecular simulations, the deep potential molecular dynamics (DPMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data. The neural network model preserves all the natural symmetries in the problem. It is first-principles based in the sense that there are no ad hoc components aside from the network model. We show that the proposed scheme provides an efficient and accurate protocol in a variety of systems, including bulk materials and molecules...
April 6, 2018: Physical Review Letters
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