3,335 research outputs found

    Selecting methods to solve multi-well master equations

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    Effects of J-gate potential and interfaces on donor exchange coupling in the Kane quantum computer architecture

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    We calculate the electron exchange coupling for a phosphorus donor pair in silicon perturbed by a J-gate potential and the boundary effects of the silicon host geometry. In addition to the electron-electron exchange interaction we also calculate the contact hyperfine interaction between the donor nucleus and electron as a function of the varying experimental conditions. Donor separation, depth of the P nuclei below the silicon oxide layer and J-gate voltage become decisive factors in determining the strength of both the exchange coupling and the hyperfine interaction - both crucial components for qubit operations in the Kane quantum computer. These calculations were performed using an anisotropic effective-mass Hamiltonian approach. The behaviour of the donor exchange coupling as a function of the device parameters varied provides relevant information for the experimental design of these devices.Comment: 15 pages, 15 figures. Accepted for Journal of Physics: Condensed Matte

    Fast, scalable master equation solution algorithms. III. Direct time propagation accelerated by a diffusion approximation preconditioned iterative solver

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    In this paper we propose a novel fast and linearly scalable method for solving master equations arising in the context of gas-phase reactive systems, based on an existent stiff ordinary differential equation integrator. The required solution of a linear system involving the Jacobian matrix is achieved using the GMRES iteration preconditioned using the diffusion approximation to the master equation. In this way we avoid the cubic scaling of traditional master equationsolution methods and maintain the low temperature robustness of numerical integration. The method is tested using a master equation modelling the formation of propargyl from the reaction of singlet methylene with acetylene, proceeding through long lived isomerizing intermediates

    Molecular orbital calculations of two-electron states for P donor solid-state spin qubits

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    We theoretically study the Hilbert space structure of two neighbouring P donor electrons in silicon-based quantum computer architectures. To use electron spins as qubits, a crucial condition is the isolation of the electron spins from their environment, including the electronic orbital degrees of freedom. We provide detailed electronic structure calculations of both the single donor electron wave function and the two-electron pair wave function. We adopted a molecular orbital method for the two-electron problem, forming a basis with the calculated single donor electron orbitals. Our two-electron basis contains many singlet and triplet orbital excited states, in addition to the two simple ground state singlet and triplet orbitals usually used in the Heitler-London approximation to describe the two-electron donor pair wave function. We determined the excitation spectrum of the two-donor system, and study its dependence on strain, lattice position and inter donor separation. This allows us to determine how isolated the ground state singlet and triplet orbitals are from the rest of the excited state Hilbert space. In addition to calculating the energy spectrum, we are also able to evaluate the exchange coupling between the two donor electrons, and the double occupancy probability that both electrons will reside on the same P donor. These two quantities are very important for logical operations in solid-state quantum computing devices, as a large exchange coupling achieves faster gating times, whilst the magnitude of the double occupancy probability can affect the error rate.Comment: 15 pages (2-column

    Anisotropic Ripple Deformation in Phosphorene

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    Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.Comment: J. Phys. Chem. Lett. 201

    Automated Riverbed Sediment Classification Using Low-Cost Sidescan Sonar

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    The use of low-cost, low-profile, and highly portable sidescan sonar is on the ascendancy for imaging shallow riverine benthic sediments. A new automated, spatially explicit, and physically-based method for calculating lengthscales of bed texture elements in sidescan echograms (a 2D plot of acoustic intensity as a function of slant range and distance) is suggested. It uses spectral analysis based on the wavelet transform of short sequences of echograms. The recursive application of the transform over small overlapping windows of the echogram provides a robust measure of lengthscales of alternating patterns of strong and weak echoes. This textural lengthscale is not a direct measure of grain size. Rather, it is a statistical representation that integrates over many attributes of bed texture, of which grain size is the most important. The technique is a physically-based means to identify regions of texture within a sidescan echogram, and could provide a basis for objective, automated riverbed sediment classification. Results are evaluated using data from two contrasting riverbed environments: those of the Colorado River in Grand Canyon, Arizona, and the West Branch of the Penobscot River, Maine

    The evolution of short- and long-range weapons for bacterial competition

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    Bacteria possess a diverse range of mechanisms for inhibiting competitors, including bacteriocins, tailocins, type VI secretion systems and contact-dependent inhibition (CDI). Why bacteria have evolved such a wide array of weapon systems remains a mystery. Here we develop an agent-based model to compare short-range weapons that require cell-cell contact, with long-range weapons that rely on diffusion. Our model predicts that contact weapons are useful when an attacking strain is outnumbered, facilitating invasion and establishment. By contrast, ranged weapons tend to be effective only when attackers are abundant. We test our predictions with the opportunistic pathogen Pseudomonas aeruginosa, which naturally carries multiple weapons, including CDI and diffusing tailocins. As predicted, short-range CDI can function at low and high frequencies, while long-range tailocins require high frequency and cell density to function effectively. Head-to-head competition experiments with the two weapon types further support our predictions: a tailocin attacker defeats CDI only when it is numerically dominant, but then we find it can be devastating. Finally, we show that the two weapons work well together when one strain employs both. We conclude that short- and long-range weapons serve different functions and allow bacteria to fight both as individuals and as a group

    Access to Justice for Refugees: How Legal Aid and Quality of Counsel Impact Fairness and Efficiency in Canada’s Asylum System

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    This report presents findings from a study exploring relationships between refugee legal aid, quality of counsel, the fairness and efficiency of asylum procedures, and access to justice for refugee claimants in Canada. Legal scholars, jurists and legal associations across Canada have recognized an access to justice “crisis”. The crisis extends to refugee claimants, and is exacerbated by unique vulnerabilities and barriers to justice. This report defines access to justice for refugee claimants in Canada as early and affordable access to high-quality legal representation to both prepare claims and appear before the Immigration and Refugee Board, without systemic or economic barriers; to fully participate in and understand the refugee status determination process; to obtain just and fair outcomes in a timely and efficient manner; and to have recourse for poor quality or abusive representation

    Snapping Turtle, Chelydra serpentina, Overland Movements Near the Southeastern Extent of its Range

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    Terrestrial movements of turtles are of interest due to the conservation implications for this imperiled group and the general lack of information on this topic, particularly in wide-ranging species. The snapping turtle, Chelydra serpentina, is one of the most broadly distributed chelonians in the world; they occur from southeastern Canada westward to Alberta and throughout the eastern half of the United States and into Central America. Most research on this species has been focused on populations in the northern portion of the range. In this study, we radio-tracked five turtles in southwestern Georgia, where published data on spatial ecology and movements are lacking. Turtles exhibited extensive overland movements which we suspect occurred in response to drought
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