Théorie eulérienne des milieux déformables - Charges de dislocation et désinclinaison dans les solides
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A method is introduced for reducing the degrees of freedom in simulations of mechanical behavior of materials without sacrificing important physics. The method essentially combines the quasicontinuum (QC) method with continuum defect models such as the dis ...
D. functional theory (DFT) has progressively emerged in the last 40 years as a leading methodol. for the modeling and simulation of chem. systems. In this paper, some historical landmarks in the development of this method are outlined, emphasizing on its m ...
The ultrafast dynamics of electronic bubble formation upon excitation of the A(3ss) Rydberg state of NO trapped in solid H2 and D2 was studied by femtosecond pump-probe spectroscopy. The evolution of the spherical bubble is followed in real time by a probe ...
The most important advances in the field of biomaterials over the past few years have been in bioactive biomaterials. Materials have been developed to incorporate bioactivity through biological recognition, including incorporation of adhesion factors, poly ...
In order to achieve selective inversion of a chosen family of sidebands in NMR spectra of solids rotating at the magic angle (MAS spectra), a sequence of so-called DANTE pulses can be applied in synchronization with the sample rotation period. It is shown ...
In order to determine the polarization dependence of multiphoton transitions to excitonic states in solids, we develop a symmetry analysis of the transition-rate formula that includes the study of its transformation properties under permutation of the phot ...
The postresonator method proposed by Hakki and Coleman for the measurement of dielectric properties of solids in the microwave region is reexamined. Based on the experiments performed around 10 GHz, the limitations of the method in loss determination for m ...
We present a simple framework for determining the parameters for efficient adiabatic pulses in solids with very large shift anisotropies under very fast MAS. We introduce the notion of the effective adiabatic quality factor to describe the spin dynamics. W ...
The variable-speed magic-angle sample spinning (VSMAS) technique was extended to two-dimensional spectroscopy in solids yielding two-dimensional spectra free of spinning sidebands. [on SciFinder (R)] ...
V substituted phosphomolybdic acids could hydroxylate benzene with nearly 100% selectivity at appreciable conversion levels in the presence of oxidizing agents like H2O2 and AcOOH. There appears to be a correlation, for the liq. phase, between phenol yield ...