A multiscale model of the reaction pathway for p-type doping using diborane on Si(100)-2x1
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Computer Methods in Applied Mechanics and Engineering
This work presents the design of nonlinear stabilization techniques for the finite element discretization of Euler equations in both steady and transient form. Implicit time integration is used in the case of the transient form. A differentiable local bounds preserving method has been developed, which combines a Rusanov artificial diffusion operator and a differentiable shock detector. Nonlinear stabilization schemes are usually stiff and highly nonlinear. This issue is mitigated by the differentiability properties of the proposed method. Moreover, in order to further improve the nonlinear convergence, we also propose a continuation method for a subset of the stabilization parameters. The resulting method has been successfully applied to steady and transient problems with complex shock patterns. Numerical experiments show that it is able to provide sharp and well resolved shocks. The importance of the differentiability is assessed by comparing the new scheme with its non-differentiable counterpart. Numerical experiments suggest that, for up to moderate nonlinear tolerances, the method exhibits improved robustness and nonlinear convergence behavior for steady problems. In the case of transient problem, we also observe a reduction in the computational cost.
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Quantum Science and Technology
PyGSTi is a Python software package for assessing and characterizing the performance of quantum computing processors. It can be used as a standalone application, or as a library, to perform a wide variety of quantum characterization, verification, and validation (QCVV) protocols on as-built quantum processors. We outline pyGSTi's structure, and what it can do, using multiple examples. We cover its main characterization protocols with end-to-end implementations. These include gate set tomography, randomized benchmarking on one or many qubits, and several specialized techniques. We also discuss and demonstrate how power users can customize pyGSTi and leverage its components to create specialized QCVV protocols and solve user-specific problems.
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A technique called the splice method for coupling local to peridynamic subregions of a body is described. The method relies on ghost nodes, whose values of displacement are interpolated from nearby physical nodes, to make each subregion visible to the other. In each time step, the nodes in each subregion treat the nodes in the other subregion as boundary conditions. Adaptively changing the subregions is possible through the creation and deletion of ghost nodes. Example problems in 2D and 3D illustrate how the method is used to perform multiscale modeling of fracture and impact events within a larger structure.
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