Several SU(N) gauge theories have been explored as candidates for producing stable dark matter particles that can explain their relative abundance, while also evading current constraints from direct, indirect and coll...
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Medicinal plants have been a cornerstone of healthcare practices globally, serving a significant population in developing countries who rely on affordable herbal remedies. However, the current marketing system through...
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We study the double ionization dynamics of a helium atom impacted by electrons with full-dimensional classical trajectory Monte Carlo simulation. The excess energy is chosen to cover a wide range of values from 5 e V ...
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We study the double ionization dynamics of a helium atom impacted by electrons with full-dimensional classical trajectory Monte Carlo simulation. The excess energy is chosen to cover a wide range of values from 5 e V to 1 ke V for comparative study. At the lowest excess energy, i.e., close to the double-ionization threshold, it is found that the projectile momentum is totally transferred to the recoil-ion while the residual energy is randomly partitioned among the three outgoing electrons, which are then most probably emitted with an equilateral triangle configuration. Our results agree well with experiments as compared with early quantum-mechanical calculation as well as classical simulation based on a two-dimensional Bohr's model. Furthermore, by mapping the final momentum vectors event by event into a Dalitz plot,we unambiguously demonstrate that the ergodicity has been reached and thus confirm a long-term scenario conceived by Wannier. The time scale for such few-body thermalization, from the initial nonequilibrium state to the final microcanonical distribution, is only about 100 attoseconds. Finally, we predict that, with the increase of the excess energy, the dominant emission configuration undergoes a transition from equilateral triangle to T-shape and finally to a co-linear mode. The associated signatures of such configuration transition in the electron–ion joint momentum spectrum and triple-electron angular distribution are also demonstrated.
作者:
Saranya, P.Viji, D.Jangiti, AdityaSchool of Computing
College of Engineering and Technology SRM Institute of Science and Technology Department of Computational Intelligence Tamil Nadu Chennai India School of Computing
College of Engineering and Technology SRM Institute of Science and Technology Department of Computing Technologies Tamil Nadu Chennai India
Nowadays, smart healthcare appliances generate vast amount of medical data. Such huge amount of data requires classification methodologies, through which disease diagnostics can be carried out. Chronic diseases like c...
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Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor(MOR) exhibits binding affinity towards(-)-morphine, a well-established gold standard in pain manage...
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Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor(MOR) exhibits binding affinity towards(-)-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the(+)-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of(-)-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast,(+)-morphine fails to sustain the activation state of ***, the results suggest that specific residues, namely D1142.50and D1473.32, are deprotonated in the active state of MOR bound to(-)-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.
The paper investigates the robustness and parallel scaling properties of a novel physical factorization preconditioner with algebraic multigrid subsolves in the iterative solution of a cell-centered finite volume disc...
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The paper investigates the robustness and parallel scaling properties of a novel physical factorization preconditioner with algebraic multigrid subsolves in the iterative solution of a cell-centered finite volume discretization of the threedimensional multi-group radiation diffusion *** key idea is to take advantage of a particular kind of block factorization of the resulting system matrix and approximate the left-hand block matrix selectively spurred by parallel processing *** spectral property of the preconditioned matrix is then *** practical strategy is considered sequentially and in ***,numerical results illustrate the numerical robustness,computational efficiency and parallel strong and weak scalabilities over the real-world structured and unstructured coupled problems,showing its competitiveness with many existing block preconditioners.
This study aims to present complex fuzzy soft graphs (cfsg). We also obtain regular cfsg, strong cfsg, spanning cfsg, and complex fuzzy soft graph (cfsg) along with the definitions of the cfsg ‘s for path, bridge, st...
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The frictional behavior of supported graphene is known to be influenced by the physical properties and surface morphologies of the underlying substrate. However, it is unclear how a surface defect on the substrate aff...
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The frictional behavior of supported graphene is known to be influenced by the physical properties and surface morphologies of the underlying substrate. However, it is unclear how a surface defect on the substrate affects the friction of supported graphene,and it is even unknown how to define the defect-induced friction force in this context. Here we conduct molecular dynamics(MD) simulations to investigate the friction between a square diamond slider and a graphene sheet supported by a copper substrate with a surface cavity defect. Our results demonstrate that the defect-induced friction exhibits a nonlinear increase with cavity size, while it decreases nonlinearly with slider size. We propose that the definition of defect-induced friction can be linked to the increase in friction work over the length of the slider, and is closely correlated to the defect-induced relative change in indentation depth and the ratio of the cavity area to the contact area. These findings provide a comprehensive evaluation of the impact of a substrate cavity defect on the friction of supported graphene and offer insights that may have broader implications for understanding defect-induced friction in other two-dimensional materials.
作者:
Xie, PengchengState Key Laboratory of Scientific and Engineering Computing
Institute of Computational Mathematics and Scientific/Engineering Computing Academy of Mathematics and Systems Science Chinese Academy of Sciences University of Chinese Academy of Sciences ZhongGuanCun East Road No. 55 Beijing China
Optimization methods play a crucial role in various fields and applications. In some optimization problems, the derivative information of the objective function is unavailable. Such black-box optimization problems nee...
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We develop two types of adaptive energy preserving algorithms based on the averaged vector field for the guiding center dynamics,which plays a key role in magnetized *** adaptive scheme is applied to the Gauss Legendr...
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We develop two types of adaptive energy preserving algorithms based on the averaged vector field for the guiding center dynamics,which plays a key role in magnetized *** adaptive scheme is applied to the Gauss Legendre’s quadrature rules and time stepsize respectively to overcome the energy drift problem in traditional energy-preserving *** new adaptive algorithms are second order,and their algebraic order is carefully *** results show that the global energy errors are bounded to the machine precision over long time using these adaptive algorithms without massive extra computation cost.
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