The Experts below are selected from a list of 10839 Experts worldwide ranked by ideXlab platform

V. Girault - One of the best experts on this subject based on the ideXlab platform.

Lothar Reichel - One of the best experts on this subject based on the ideXlab platform.

C. Bernardi - One of the best experts on this subject based on the ideXlab platform.

Stefan Stoll - One of the best experts on this subject based on the ideXlab platform.

  • optimal tikhonov Regularization for deer spectroscopy
    Journal of Magnetic Resonance, 2018
    Co-Authors: Thomas H Edwards, Stefan Stoll
    Abstract:

    Abstract Tikhonov Regularization is the most commonly used method for extracting distance distributions from experimental double electron-electron resonance (DEER) spectroscopy data. This method requires the selection of a Regularization parameter, α , and a Regularization Operator, L. We analyze the performance of a large set of α selection methods and several Regularization Operators, using a test set of over half a million synthetic noisy DEER traces. These are generated from distance distributions obtained from in silico double labeling of a protein crystal structure of T4 lysozyme with the spin label MTSSL. We compare the methods and Operators based on their ability to recover the model distance distributions from the noisy time traces. The results indicate that several α selection methods perform quite well, among them the Akaike information criterion and the generalized cross validation method with either the first- or second-derivative Operator. They perform significantly better than currently utilized L-curve methods.

Samuel Forest - One of the best experts on this subject based on the ideXlab platform.

  • Nonlinear Regularization Operators as derived from the micromorphic approach to gradient elasticity, viscoplasticity and damage
    Proceedings of the Royal Society A: Mathematical Physical and Engineering Sciences, 2016
    Co-Authors: Samuel Forest
    Abstract:

    The construction of Regularization Operators presented in this work is based on the introduction of strain or damage micromorphic degrees of freedom in addition to the displacement vector and of their gradients into the Helmholtz free energy function of the constitutive material model. The combination of a new balance equation for generalized stresses and of the micromorphic constitutive equations generates the Regularization Operator. Within the small strain framework, the choice of a quadratic potential w.r.t. the gradient term provides the widely used Helmholtz Operator whose Regularization properties are well known: smoothing of discontinuities at interfaces and boundary layers in hardening materials, and finite width localization bands in softening materials. The objective is to review and propose nonlinear extensions of micromorphic and strain/damage gradient models along two lines: the first one introducing nonlinear relations between generalized stresses and strains; the second one envisaging several classes of finite deformation model formulations. The generic approach is applicable to a large class of elastoviscoplastic and damage models including anisothermal and multiphysics coupling. Two standard procedures of extension of classical constitutive laws to large strains are combined with the micromorphic approach: additive split of some Lagrangian strain measure or choice of a local objective rotating frame. Three distinct Operators are finally derived using the multiplicative decomposition of the deformation gradient. A new feature is that a free energy function depending solely on variables defined in the intermediate isoclinic configuration leads to the existence of additional kinematic hardening induced by the gradient of a scalar micromorphic variable.