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| 1 | Revealing and exploiting hierarchical material structure through complex atomic networks显示文摘One of the great challenges of modern science is to faithfully model,and understand,matter at a wide range of scales.Starting with atoms,the vastness of the space of possible configurations poses a formidable challenge to any simulation of complex atomic and molecular systems.We introduce a computational method to reduce the complexity of atomic configuration space by systematically recognising hierarchical levels of atomic structure,and identifying the individual components.Given a list of atomic coordinates,a network is generated based on the distances between the atoms.Using the technique of modularity optimisation,the network is decomposed into modules.This procedure can be performed at different resolution levels,leading to a decomposition of the system at different scales,from which hierarchical structure can be identified.By considering the amount of information required to represent a given modular decomposition we can furthermore find the most succinct descriptions of a given atomic ensemble.Our straightforward,automatic and general approach is applied to complex crystal structures.We show that modular decomposition of these structures considerably simplifies configuration space,which in turn can be used in discovery of novel crystal structures,and opens up a pathway towards accelerated molecular dynamics of complex atomic ensembles.The power of this approach is demonstrated by the identification of a possible allotrope of boron containing 56 atoms in the primitive unit cell,which we uncover using an accelerated structure search,based on a modular decomposition of a known dense phase of boron,γ-B_(28). | Sebastian E.Ahnert William P.Grant Chris J.Pickard | 2017 | npj Computational Materials2017，，1： | 4 |
| 2 | From Ethnocentrism to Collective Protest:Responses to Relative Deprivation and Threats to Social Identity显示文摘 | P.Grant R.Brown | | 0，，03： | 1 |
| 3 | Turbulent flow simulation of a single-blade Magnus rotor显示文摘This paper presents numerical studies of the Magnus effect for a kinetic turbine on a horizontal axis.To focus on the Magnus blade,a single self-spinning cylindrical blade is assumed.An iterative direct-forcing immersed boundary method is employed within the Eulerian-Lagrangian framework due to its capability to treat complex and moving geometries.The Eulerian fluid domain is discretized using the finite volume method while the Magnus rotor is represented by a set of discrete points/markers.The aim of the numerical studies is to provide insights for the design process and predict aerodynamic performances under various operating conditions.Results for stationary and self-spinning cylinders in turbulent flows are found to be in good agreement with published data.By increasing the aspect ratio of the cylinder(simulated segment length over its diameter)from 3 to 10,a 30%drop in lift coefficient and a 22%increase in drag coefficient were observed,which is believed to be attributed to an enhancement of the three-dimensionality of the near-wake.For the Magnus rotor,key parameters such as dynamic forcing and frequency,distribution of pressure coefficient and torque have been produced for two cases with different structural designs and working conditions.With increase of the aspect ratio from 3 to 10,stable forces are observed from the root side of the blade and the torque coefficient increases from 0.68 to 2.1,which indicates a superior performance in terms of power extraction. | X.Bai C.Ji P.Grant N.Phillips U.Oza E.J.Avital J.J.R.Williams | 2021 | Advances in Aerodynamics2021，3，1： | 0 |
| 4 | 微管蛋白显示文摘50多年来,研究人员一直对动物细胞的一个现象感到不解---它们是怎样把微管蛋白组织成横截面为9辐的空心圆柱体的?现在,瑞士联邦理工的Pierre Gonczy和同事们发现了一种关键的蛋白组分,其三维构象直接导致了这种不同寻常的现象。中心体是一个筒型的细胞器,它把微管组织成束,让后者在细胞分裂时把成对的染色体拖开。 | Richard P.Grant 周林文 | 2011 | 生物技术世界2011，，4： | 0 |
| 5 | 变形虫找到了组织显示文摘盘基网柄菌(Dictyostelium discoideum)是一种简单的真核微生物,外形象阿米巴虫,通常称它为“社会阿米巴(social amoebae)”,以吞食细菌为生。这种单细胞的生物会联合起来,组成一个多细胞的软体动物。它通常被作为模式生物,用来研究趋化作用、细胞间信息交流和社会性的演化, | Richard P.Grant 周林文 | 2011 | 生物技术世界2011，，5： | 0 |
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