Recent Developments in Theoretical Studies of Proteins

10.1142/2688 ◽  
1996 ◽  
Author(s):  
Ron Elber
2005 ◽  
Vol 902 ◽  
Author(s):  
Nikolay Pertsev

AbstractThe nonlinear thermodynamic theory of epitaxial ferroelectric films has predicted several important strain-induced phenomena, which have been already observed experimentally. This justifies further development of this theory aiming at the better understanding of the structure/property relationships in thin-film ferroelectrics. To that end, a number of new theoretical studies have been performed recently. First, the thermodynamic formalism has been extended to epitaxial films grown on dissimilar substrates inducing anisotropic strains and a shear deformation in the film plane. Second, the polarization states and dielectric properties were calculated for polydomain Pb(Zr1-xTix)O3 films deposited on cubic substrates. Third, the effect of depolarizing field on the physical properties of strained single-domain films sandwiched between continuous electrodes was described. The results of these studies will be discussed in this paper.


2011 ◽  
Vol 7 (S281) ◽  
pp. 253-260
Author(s):  
Ken'ichi Nomoto ◽  
Yasuomi Kamiya ◽  
Naohito Nakasato

AbstractWe review some recent developments in theoretical studies on the connection between the progenitor systems of Type Ia supernovae (SNe Ia) and the explosion mechanisms. (1) DD-subCh: In the merging of double C+O white dwarfs (DD scenario), if the carbon detonation is induced near the white dwarf (WD) surface in the early dynamical phase, it could result in the (effectively) sub-Chandrasekhar mass explosion. (2) DD-Ch: If no surface C-detonation is ignited, the WD could grow until the Chandrasekhar mass is reached, but the outcome depends on whether the quiescent carbon shell burning is ignited and burns C+O into O+Ne+Mg. (3) SD-subCh: In the single degenerate (SD) scenario, if the He shell-flashes grow strong to induce a He detonation, it leads to the sub-Chandra explosion. (4) SD-Ch: If the He-shell flashes are not strong enough, they still produce interesting amounts of Si and S near the surface of the C+O WD before the explosion. In the Chandra mass explosion, the central density is high enough to produce electron capture elements, e.g., stable 58Ni. Observations of the emission lines of Ni in the nebular spectra provides useful diagnostics of the sub-Chandra vs. Chandra issue. The recent observations of relatively low velocity carbon near the surface of SNe Ia provide also an interesting constraint on the explosion models.


ChemInform ◽  
2013 ◽  
Vol 44 (37) ◽  
pp. no-no
Author(s):  
Nelly L. Jorge ◽  
Alfonso Hernandez-Laguna ◽  
Eduardo A. Castro

2012 ◽  
Vol 21 (01) ◽  
pp. 1250009 ◽  
Author(s):  
ERVIN KAFEXHIU ◽  
FELIX AHARONIAN ◽  
GABRIELA S. VILA

The importance of nuclear reactions in low-density astrophysical plasmas with ion temperatures T ≥1010 K has been recognized for more than thirty years. However, the lack of comprehensive data banks of relevant nuclear reactions and the limited computational power have not previously allowed detailed theoretical studies. Recent developments in these areas make it timely to conduct comprehensive studies on the nuclear properties of very hot plasmas formed around compact relativistic objects such as black holes and neutron stars. Such studies are of great interest in the context of scientific programs of future low-energy cosmic γ-ray spectrometry. In this work, using the publicly available code TALYS, we have built a large nuclear network relevant for temperatures exceeding 1010 K. We have studied the evolution of the chemical composition and accompanying prompt gamma-ray emission of such high-temperature plasmas. We present the results on the abundances of light elements D, T, 3 He , 4 He , 6 Li , 7 Li , 9 Be , 10 B , 11 B , and briefly discuss their implications on the astrophysical abundances of these elements.


Author(s):  
Nelly L. Jorge ◽  
Alfonso Hernández-Laguna ◽  
Eduardo A. Castro

The authors present a review on some recent developments on the synthesis, chemical reactivity and theoretical studies of Tetroxanes analysing their main physical chemistry properties. The authors examine the critical points of the PES of different conformers, and reaction paths at singlet ground state and triplet state of the tetroxane, leader member of the cyclic diperoxide compound family.


2014 ◽  
Vol 2014 ◽  
pp. 1-16 ◽  
Author(s):  
Konstantin A. Kouzakov ◽  
Alexander I. Studenikin

An overview of the current theoretical studies on neutrino-atom scattering processes is presented. The ionization channel of these processes, which is studied in experiments searching for neutrino magnetic moments, is brought into focus. Recent developments in the theory of atomic ionization by impact of reactor antineutrinos are discussed. It is shown that the stepping approximation is well applicable for the data analysis practically down to the ionization threshold.


1998 ◽  
Vol 546 ◽  
Author(s):  
R. Ballarini

AbstractA review of recent developments in experimental and theoretical studies of the mechanicalbehavior of polycrystalline silicon structures whose dimensions are comparable to those of typicalmicro electromechanical systems devices is presented. It is concluded that although great strides have been made towards understanding this behavior, there is a need to develop robust standardized experimental techniques, and in turn, material data bases that are required to verify and calibrate predictive models for calculating device reliability.


Author(s):  
De-Ren Han

AbstractRecently, alternating direction method of multipliers (ADMM) attracts much attentions from various fields and there are many variant versions tailored for different models. Moreover, its theoretical studies such as rate of convergence and extensions to nonconvex problems also achieve much progress. In this paper, we give a survey on some recent developments of ADMM and its variants.


Sign in / Sign up

Export Citation Format

Share Document