86 research outputs found
A fast and accurate computation method for reflective diffraction simulations
We present a new computation method for simulating reflection high-energy
electron diffraction and the total-reflection high-energy positron diffraction
experiments. The two experiments are used commonly for the structural analysis
of material surface. The present paper improves the conventional numerical
method, the multi-slice method, for faster computation, since the present
method avoids the matrix-eigenvalue solver for the computation of matrix
exponentials and can adopt higher-order ordinary differential equation solvers.
Moreover, we propose a high-performance implementation based on multi-thread
parallelization and cache-reusable subroutines. In our tests, this new method
performs up to 2,000 times faster than the conventional method
Error Analysis of the Cholesky QR-Based Block Orthogonalization Process for the One-Sided Block Jacobi SVD Algorithm
The one-sided block Jacobi method (OSBJ) has attracted attention as a fast and accurate algorithm for the singular value decomposition (SVD). The computational kernel of OSBJ is orthogonalization of a column block pair, which amounts to computing the SVD of this block pair. Hari proposes three methods for this partial SVD, and we found through numerical experiments that the variant named "V2", which is based on the Cholesky QR method, is the fastest variant and achieves satisfactory accuracy. While it is a good news from a practical viewpoint, it seems strange considering the well-known instability of the Cholesky QR method. In this paper, we perform a detailed error analysis of the V2 variant and explain why and when it can be used to compute the partial SVD accurately. Thus, our results provide a theoretical support for using the V2 variant safely in the OSBJ method
Multiscale Universal Interface: A Concurrent Framework for Coupling Heterogeneous Solvers
Concurrently coupled numerical simulations using heterogeneous solvers are
powerful tools for modeling multiscale phenomena. However, major modifications
to existing codes are often required to enable such simulations, posing
significant difficulties in practice. In this paper we present a C++ library,
i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating
the coupling effort for a wide range of multiscale simulations. The library
adopts a header-only form with minimal external dependency and hence can be
easily dropped into existing codes. A data sampler concept is introduced,
combined with a hybrid dynamic/static typing mechanism, to create an easily
customizable framework for solver-independent data interpretation. The library
integrates MPI MPMD support and an asynchronous communication protocol to
handle inter-solver information exchange irrespective of the solvers' own MPI
awareness. Template metaprogramming is heavily employed to simultaneously
improve runtime performance and code flexibility. We validated the library by
solving three different multiscale problems, which also serve to demonstrate
the flexibility of the framework in handling heterogeneous models and solvers.
In the first example, a Couette flow was simulated using two concurrently
coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial
resolutions. In the second example, we coupled the deterministic SPH method
with the stochastic Dissipative Particle Dynamics (DPD) method to study the
effect of surface grafting on the hydrodynamics properties on the surface. In
the third example, we consider conjugate heat transfer between a solid domain
and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD)
method with the Finite Element Method (FEM).Comment: The library source code is freely available under the GPLv3 license
at http://www.cfm.brown.edu/repo/release/MUI
Synthesis and Resist Properties of Hyperbranched Polyacetals
The synthesized noria-AD offered 40 nm resolution resist pattern with LWR = 9.5 nm in the case of EB exposure tool and a clear 26 nm resolution pattern with LWR = 8.3 nm by means of EUV exposure tool. These results indicate that the present poly(THPE-co-BVOC) would have higher potential to offer higher resolution pattern using EUV lithography system
Relevance of the Core 70 and IL-28B polymorphism and response-guided therapy of peginterferon alfa-2a ± ribavirin for chronic hepatitis C of Genotype 1b: a multicenter randomized trial, ReGIT-J study
BACKGROUND: We conducted a multicenter randomized clinical trial to determine the optimal treatment strategy against chronic hepatitis C virus (HCV) with genotype 1b and a high viral load (G1b/high). METHODS: The study subjects included 153 patients with G1b/high. Patients were initially treated with PEG-IFNα-2a alone and then randomly assigned to receive different treatment regimens. Ribavirin (RBV) was administered to all patients with HCV RNA at week 4. Patients negative for HCV RNA at week 4 were randomly assigned to receive PEG-IFNα-2a (group A) or PEG-IFNα-2a/RBV (group B). Patients who showed HCV RNA at week 4 but were negative at week 12 were randomly assigned to receive weekly PEG-IFNα-2a (group C) or biweekly therapy (group D). Patients who showed HCV RNA at week 12 but were negative at week 24 were randomly assigned to receive PEG-IFNα-2a/RBV (group E) or PEG-IFNα-2a/RBV/fluvastatin (group F). RESULTS: Overall, the rate of sustained virological response (SVR) was 46 % (70/153). The total SVR rate in the group (A, D, and F) of response-guided therapy was significantly higher than that in the group (B, C, and E) of conventional therapy [70 % (38/54) versus 52 % (32/61), p = 0.049]. Although IL28-B polymorphism and Core 70 mutation were significantly associated with efficacy, patients with rapid virological response (RVR) and complete early virological response (cEVR) achieved high SVR rates regardless of their status of IL-28B polymorphism and Core 70 mutation. CONCLUSION: In addition to knowing the IL-28B polymorphism and Core 70 mutation status, understanding the likelihood of virological response during treatment is critical in determining the appropriate treatment strategy
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