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Farzaneh Hajabdollahi, Kannan N Premnath
Lattice Boltzmann (LB) models used for the computation of fluid flows represented by the Navier-Stokes (NS) equations on standard lattices can lead to non-Galilean-invariant (GI) viscous stress involving cubic velocity errors. This arises from the dependence of their third-order diagonal moments on the first-order moments for standard lattices, and strategies have recently been introduced to restore Galilean invariance without such errors using a modified collision operator involving corrections to either the relaxation times or the moment equilibria...
May 2018: Physical Review. E
Yaroslav Herasymenko, Kyrylo Snizhko, Yuval Gefen
We consider charge pumping in a system of parafermions, implemented at fractional quantum Hall edges. Our pumping protocol leads to a noisy behavior of the pumped current. As the adiabatic limit is approached, not only does the noisy behavior persist but the counting statistics of the pumped current becomes robust and universal. In particular, the resulting Fano factor is given in terms of the system's topological degeneracy and the pumped quasiparticle charge. Our results are also applicable to the more conventional Majorana fermions...
June 1, 2018: Physical Review Letters
Reshma Basak, Rishikesh Narayanan
A prominent hypothesis spanning several sensory-perceptual systems implicates spatially clustered synapses in the generation of dendritic spikes that mediate sharply-tuned neuronal responses to input features. In this conductance-based morphologically-precise computational study, we tested this hypothesis by systematically analyzing the impact of distinct synaptic and channel localization profiles on sharpness of spatial tuning in hippocampal pyramidal neurons. We found that the generation of dendritic spikes, the emergence of an excitatory ramp in somatic voltage responses, the expression of several intrinsic somatodendritic functional maps and sharp tuning of place-cell responses were all attainable even when iso-feature synapses are randomly dispersed across the dendritic arbor of models with disparate channel combinations...
June 12, 2018: Journal of Physiology
Yong-Lei Wang, Xiaoyu Ma, Jing Xu, Zhi-Li Xiao, Alexey Snezhko, Ralu Divan, Leonidas E Ocola, John E Pearson, Boldizsar Janko, Wai-Kwong Kwok
Geometric frustration emerges when local interaction energies in an ordered lattice structure cannot be simultaneously minimized, resulting in a large number of degenerate states. The numerous degenerate configurations may lead to practical applications in microelectronics 1 , such as data storage, memory and logic 2 . However, it is difficult to achieve very high degeneracy, especially in a two-dimensional system3,4 . Here, we showcase in situ controllable geometric frustration with high degeneracy in a two-dimensional flux-quantum system...
June 11, 2018: Nature Nanotechnology
Michael H Palmer, Søren Vrønning Hoffmann, Nykola C Jones, Marcello Coreno, Monica de Simone, Cesare Grazioli
The vacuum ultraviolet (VUV) spectrum for CH2 F2 from a new synchrotron study has been combined with earlier data and subjected to detailed scrutiny. The onset of absorption, band I and also band IV, is resolved into broad vibrational peaks, which contrast with the continuous absorption previously claimed. A new theoretical analysis, using a combination of time dependent density functional theory (TDDFT) calculations and complete active space self-consistent field, leads to a major new interpretation. Adiabatic excitation energies (AEEs) and vertical excitation energies, evaluated by these methods, are used to interpret the spectra in unprecedented detail using theoretical vibronic analysis...
June 7, 2018: Journal of Chemical Physics
Thomas Iadecola, Timothy H Hsieh
We show that time-reflection symmetry in periodically driven (Floquet) quantum systems enables an inherently nonequilibrium phenomenon structurally similar to quantum-mechanical supersymmetry. In particular, we find Floquet analogs of the Witten index that place lower bounds on the degeneracies of states with quasienergies 0 and π. Moreover, we show that in some cases time-reflection symmetry can also interchange fermions and bosons, leading to fermion-boson pairs with opposite quasienergy. We provide a simple class of disordered, interacting, and ergodic Floquet models with an exponentially large number of states at quasienergies 0 and π, which are robust as long as the time-reflection symmetry is preserved...
May 25, 2018: Physical Review Letters
Timothy F Miles, Katja Spiess, Kevin M Jude, Naotaka Tsutsumi, John S Burg, Jessica R Ingram, Deepa Waghray, Gertrud M Hjorto, Olav Larsen, Hidde L Ploegh, Mette M Rosenkilde, K Christopher Garcia
Human cytomegalovirus has hijacked and evolved a human G-protein-coupled receptor into US28, which functions as a promiscuous chemokine 'sink' to facilitate evasion of host immune responses. To probe the molecular basis of US28's unique ligand cross-reactivity, we deep-sequenced CX3CL1 chemokine libraries selected on 'molecular casts' of the US28 active-state and find that US28 can engage thousands of distinct chemokine sequences, many of which elicit diverse signaling outcomes. The structure of a G-protein-biased CX3CL1-variant in complex with US28 revealed an entirely unique chemokine amino terminal peptide conformation and remodeled constellation of receptor-ligand interactions...
June 8, 2018: ELife
Mitali Banerjee, Moty Heiblum, Vladimir Umansky, Dima E Feldman, Yuval Oreg, Ady Stern
Topological states of matter are characterized by topological invariants, which are physical quantities whose values are quantized and do not depend on the details of the system (such as its shape, size and impurities). Of these quantities, the easiest to probe is the electrical Hall conductance, and fractional values (in units of e2 /h, where e is the electronic charge and h is the Planck constant) of this quantity attest to topologically ordered states, which carry quasiparticles with fractional charge and anyonic statistics...
June 4, 2018: Nature
Zixuan Hu, Gregory S Engel, Sabre Kais
Coupled excitonic structures are found in natural and artificial light harvesting systems where optical transitions link different excitation manifolds. In systems with symmetry, some optical transitions are allowed, while others are forbidden. Here we examine an excitonic ring structure and identify an accidental degeneracy between two categories of double-excitation eigenstates with distinct symmetries and optical transition properties. To understand the accidental degeneracy, a complete selection rule between two arbitrary excitation manifolds is derived with a physically motivated proof...
May 28, 2018: Journal of Chemical Physics
Patrick Frank, Maurizio Benfatto, Munzarin Qayyum
High resolution (k = 18 Å-1 or k = 17 Å-1 ) copper K-edge EXAFS and MXAN (Minuit X-ray Absorption Near Edge) analyses have been used to investigate the structure of dissolved [Cu(aq)]2+ in 1,3-propanediol (1,3-P) or 1,5-pentanediol (1,5-P) aqueous frozen glasses. EXAFS analysis invariably found a single axially asymmetric 6-coordinate (CN6) site, with 4×Oeq = 1.97 Å, Oax1 = 2.22 Å, and Oax2 = 2.34 Å, plus a second-shell of 4×Owater = 3.6 Å. However, MXAN analysis revealed that [Cu(aq)]2+ occupies both square pyramidal (CN5) and axially asymmetric CN6 structures...
May 28, 2018: Journal of Chemical Physics
R E Asfin, S M Melikova, K S Rutkowski
The FTIR spectra of fluoroform + methyl fluoride mixtures trapped in argon and nitrogen matrices are studied at T~10-30 K. Spectroscopic changes observed in the region of the CH stretching mode of fluoroform are typical for weak blue shifting H - bonds of CH⋯F type. The degeneracy lifting effect found on E - type bands of fluoroform interacted with methyl fluoride suggests the complex formation of a nonlinear form. The experimental results are confirmed by ab initio calculations of fluoroform + methyl fluoride based on the second order Møller-Plesset theory of perturbations utilizing advanced basis set...
May 29, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Dong-Sheng Wang, Ian Affleck, Robert Raussendorf
Topological qubits based on SU(N)-symmetric valence-bond solid models are constructed. A logical topological qubit is the ground subspace with twofold degeneracy, which is due to the spontaneous breaking of a global parity symmetry. A logical Z rotation by an angle 2π/N, for any integer N>2, is provided by a global twist operation, which is of a topological nature and protected by the energy gap. A general concatenation scheme with standard quantum error-correction codes is also proposed, which can lead to better codes...
May 18, 2018: Physical Review Letters
Sk Firoz Islam
The polymorph of ${\rm 8-Pmmn}$ borophene is an anisotropic Dirac material with tilted Dirac cones at two valleys. The tilting of the Dirac cones at two valleys are in opposite directions, which manifests itself via the valley dependent Landau levels in presence of an in-plane electric field (Hall field). The valley dependent Landau levels cause valley polarized magnetotransport properties in presence of the Hall field, which is in contrast to the monolayer graphene with isotropic non-tilted Dirac cones. The longitudinal conductivity and Hall conductivity are evaluated by using linear response theory in low temperature regime...
May 30, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Mingu Kang, Sung Won Jung, Woo Jong Shin, Yeongsup Sohn, Sae Hee Ryu, Timur K Kim, Moritz Hoesch, Keun Su Kim
Two-dimensional (2D) crystals have emerged as a class of materials with tunable carrier density 1 . Carrier doping to 2D semiconductors can be used to modulate many-body interactions 2 and to explore novel composite particles. The Holstein polaron is a small composite particle of an electron that carries a cloud of self-induced lattice deformation (or phonons)3-5 , which has been proposed to play a key role in high-temperature superconductivity 6 and carrier mobility in devices 7 . Here we report the discovery of Holstein polarons in a surface-doped layered semiconductor, MoS2 , in which a puzzling 2D superconducting dome with the critical temperature of 12 K was found recently8-11 ...
May 28, 2018: Nature Materials
Lingjuan He, Qian Shen, Jie Xu, Yun You, Tianbao Yu, Linfang Shen, Xiaohua Deng
Electromagnetic edge mode in a photonic crystal (PhC), which is a square array of semiconductor rods in air, is theoretically investigated for terahertz frequencies. In the PhC, gyroelectric anisotropy is introduced in the semiconductor rods by applying an external magnetic field and consequently, a degeneracy point, at which two dispersion surfaces intersect, is lifted and a new band gap is created. The edge mode sustained by the PhC possesses the character of one-way propagation, and it even can be immune to backscattering at large defect on the wavelength scale and 90° sharp bend...
May 25, 2018: Scientific Reports
David B Ruffner, Fook Chiong Cheong, Jaroslaw M Blusewicz, Laura A Philips
Micrometer sized particles can be accurately characterized using holographic video microscopy and Lorenz-Mie fitting. In this work, we explore some of the limitations in holographic microscopy and introduce methods for increasing the accuracy of this technique with the use of multiple wavelengths of laser illumination. Large high index particle holograms have near degenerate solutions that can confuse standard fitting algorithms. Using a model based on diffraction from a phase disk, we explain the source of these degeneracies...
May 14, 2018: Optics Express
Jun-Xin Duan, Yun Zhou, Zhi-Zhong Xie, Tao-Lei Sun, Jun Cao
In this study, we present a trajectory surface hopping (TSH) method that incorporates spin-orbit (SO) effects using the "diagonal representation" within the Linear-Response Time-Dependent Density Functional Theory (LR-TDDFT) framework. In this approach, the evaluation of spin-orbit coupling (SOC) matrix elements between singlet and triplet states employs the Casida's wave functions and the Breit-Pauli (BP) spin-orbit Hamiltonian with effective charge approximation. The new TSH approach is then used to investigate the excited-state relaxation of 2-thiouracil (2TU) in vacuum and water...
May 25, 2018: Physical Chemistry Chemical Physics: PCCP
Aitao Li, Carlos G Acevedo-Rocha, Manfred T Reetz
Site-saturation mutagenesis (SSM) has been used in directed evolution of proteins for a long time. As a special form of saturation mutagenesis, it involves individual randomization at a given residue with formation of all 19 amino acids. To date, the most efficient embodiment of SSM is a one-step PCR-based approach using NNK codon degeneracy. However, in the case of difficult-to-randomize genes, SSM may not deliver all of the expected 19 mutants, which compels the user to invest further efforts by applying site-directed mutagenesis for the construction of the missing mutants...
May 21, 2018: Applied Microbiology and Biotechnology
Shuping Guo, Kaishuai Yang, Zhi Zeng, Yongsheng Zhang
Doping and alloying are important methodologies to improve the thermoelectric performance of FeNbSb based materials. To fully understand the influence of point defects on the thermoelectric properties, we have used density functional calculations in combination with the cluster expansion and Monte Carlo methods to examine the defect distribution behaviors in the mesoscopic FeNb1-xVxSb and FeNb1-xTixSb systems. We find that V and Ti exhibit different distribution behaviors in FeNbSb at low temperature: forming the FeNbSb-FeVSb phase separations in the FeNb1-xVxSb system but two thermodynamically stable phases in FeNb1-xTixSb...
May 21, 2018: Physical Chemistry Chemical Physics: PCCP
Alexander V Badyaev
Evolution proceeds by accumulating functional solutions, necessarily forming an uninterrupted lineage from past solutions of ancestors to the current design of extant forms. At the population level, this process requires an organismal architecture in which the maintenance of local adaptation does not preclude the ability to innovate in the same traits and their continuous evolution. Representing complex traits as networks enables us to visualize a fundamental principle that resolves tension between adaptation and continuous evolution: phenotypic states encompassing adaptations traverse the continuous multi-layered landscape of past physical, developmental and functional associations among traits...
May 17, 2018: Seminars in Cell & Developmental Biology
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