Early Stage of Oxidation on Titanium Surface by Reactive Molecular Dynamics Simulation

Understanding of metal oxidation is very critical to corrosion control,catalysis synthesis,and advanced materials engineering.Metal oxidation is a very complex phenomenon,with many different processes which are coupled and involved from the onset of reaction.In this work,the initial stage of oxidation on titanium surface was investigated in atomic scale by molecular dynamics(MD)simulations using a reactive force field(ReaxFF).We show that oxygen transport is the dominant process during the initial oxidation.Our simulation also demonstrate that a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Titanium(0001)surface and further prevented oxidation in the deeper layers.The mechanism of initial oxidation observed in this work can be also applicable to other self-limiting oxidation.

Melting temperature of iron under the Earth’s inner core condition from deep machine learning

Constraining the melting temperature of iron under Earth’s inner core conditions is crucial for understanding core dynamics and planetary evolution.Here,we develop a deep potential(DP)model for iron that explicitly incorporates electronic entropy contributions governing thermodynamics under Earth’s core conditions.Extensive benchmarking demonstrates the DP’s high fidelity across relevant iron phases and extreme pressure and temperature conditions.Through thermodynamic integration and direct solid–liquid coexistence simulations,the DP predicts melting temperatures for iron at the inner core boundary,consistent with previous ab initio results.This resolves the previous discrepancy of iron’s melting temperature at ICB between the DP model and ab initio calculation and suggests the crucial contribution of electronic entropy.Our work provides insights into machine learning melting behavior of iron under core conditions and provides the basis for future development of binary or ternary DP models for iron and other elements in the core.

REVIEW OF PARTICLE PHYSICS

The Review summarizes much of particle physics and cosmology. Using data from previous editions, plus 3,283 new measurements from 899 papers, we list, evaluate, and average measured properties of gauge bosons and the recently discovered Higgs boson, leptons, quarks, mesons, and baryons. We summarize searches for hypothetical particles such as heavy neutrinos, supersymmetric and technicolor particles, axions, dark photons, etc. All the particle properties and search limits are listed in Summary Tables. We also give numerous tables, figures, formulae, and reviews of topics such as Supersymmetry, Extra Dimensions, Particle Detectors, Probability, and Statistics. Among the 112 reviews are many that are new or heavily revised including those on： Dark Energy, Higgs Boson Physics, Electroweak Model, Neutrino Cross Section Measurements, Monte Carlo Neutrino Generators, Top Quark, Dark Matter, Dynamical Electroweak Symmetry Breaking, Accelerator Physics of Colliders, High-Energy Collider Parameters, Big Bang Nucleosynthesis, Astrophysical Constants and Cosmological Parameters. A booklet is available containing the Summary Tables and abbreviated versions of some of the other sections of this full Review. All tables, listings, and reviews （and errata） are also available on the Particle Data Group website： http ：//pdg. lbl. gov.

ACCELERATOR PHYSICS OF COLLIDERS

Revised August 2013 by M.J. Syphers （MSU） and F. Zimmermann （CERN）.29.1. Luminosity This article provides background for the High-Energy Collider Parameter Tables that follow. The number of events, Nexp, is the product of the cross section of interest,

HIGHLIGHTS OF THE 2014 EDITION OF THE REVIEW OF PARTICLE PHYSICS

899 new papers with 3283 new measurements Over 330 papers from LHC experiments （ATLAS, CMS, and LHCb）.

STATUS OF HIGGS BOSON PHYSICS

Written November 2013 by M. Carena （Fermi National Accelerator Laboratory and the University of Chicago）, C. Grojean （ICREA at IFAE, Universitat Autbnoma de Barcelona）, M, Kado （Laboratoire de l＇Accelerateur Lineaire, LAL and CERN）, and V. Sharma （University of California San Diego）.

Ab initio study of the substitutional point defect of silicon in aluminum

Point defects are the most simple defects in a solid.Nevertheless,a great number ofphysical and mechanical properties are sensitive to their presence.Furthermore,defectssuch as line imperfections,planar imperfections and cavities which are crucial to materialbehaviour are all influenced by their interactions with point defects.Therefore detailedknowledge of point defect is of great importance for understanding the atomistic as well asthe macroscopic behaviour of a material.Because of the importance of aluminum and

Effect of tensor correlations on the depletion of nuclear Fermi sea within the extended BHF approach

We have investigated the effect of tensor correlations on the depletion of the nuclear Fermi sea in symmetric nuclear matter within the framework of the extended Brueckner-Hartree-Fock approach by adopting the AV 18 two-body interaction and a microscopic three-body force.The contributions from various partial wave channels including the isospin-singlet T = 0 channel,the isospin-triplet T = 1 channel and the T = 0 tensor 3SD1 channel have been calculated.The T =0 neutron-proton correlations play a dominant role in causing the depletion of nuclear Fermi sea.The T =0 correlation-induced depletion turns out to stem almost completely from the 3SD1 tensor channel.The isospin-singlet T = 0 3SD1 tensor correlations are shown to be responsible for most of the depletion,which amounts to more than 70 percent of the total depletion in the density region considered.The three-body force turns out to lead to an enhancement of the depletion at high densities well above the empirical saturation density and its effect increases as a function of density.

ELECTROWEAK MODEL AND CONSTRAINTS ON NEW PHYSICS

Revised November 2013 by J. Erler （U. Mexico） and A. Freit＆s （Pittsburgh U.）.10.1 Introduction 10.2 Renormalization and radiative corrections

贵金属Ag中光学和磁光性质的实验研究

用椭圆偏振光谱仪和磁光谱仪研究了热蒸发和溅射法制备的Ag膜的光学和磁光性质 .在 1 0T的外磁场作用下 ,贵金属Ag在 3 9eV附近具有可观的磁光效应 .分析发现主要来源于两个方面 :1)自由电子在外磁场中回旋共振引起小的非对角元 ;2 )Ag本身在 3 9eV附近的光学性质 .数值计算表明磁光克尔效应θK 和εK 的峰值随ωc 的增加而增大 .对磁光实验数据拟合的有效质量与光学的相应数值基本相符 ,这为自由电子有效质量的测量提供了一种新方法 .

金属铝中Si点缺陷的第一原理研究

点缺陷是固体中最简单的一种缺陷,然而固体的许多物理和机械性质都敏感于点缺陷的存在。另外,固体中的其他各种对材料性质起决定作用的缺陷,如线缺陷、面缺陷和空洞等都受到与点缺陷的相互作用的影响。因此,详细地研究点缺陷的性质对理解材料的微观和宏观性质都有重要作用。由于金属铝及其合金在航空航天和电子工业上的重要性,对铝及其合金的研究受到了很大的重视。硅是铝中最重要的杂质缺陷之一。铝-硅合金也是最重要的商业化合金之一(当加入0.01％(重量分数)Na时)。这种合金的微结构和机械性质在少量外来原子加入后得到了很大的改善。

ATOMIC AND NUCLEAR PROPERTIES OF MATERIALS

Table 6.1 Abridged from pdg. ibl.gov/AtomicNuclearProperties by D. E. Groom （2007）. See web pages for more detail about entries in this table including chemical formulae, and for several hundred other entries. Quantities in parentheses are for gases at 20℃ and 1 atm, and square brackets indicate evaluation at 0℃ and 1 atm. Boiling points are at 1 atm.

ONLINE PARTICLE PHYSICS INFORMATION

1. IntroductionThe collection of online information resources in particle physics and related areas presented in this chapter is of necessity incomplete. An expanded and regularly updated online version can be found at：

EXPERIMENTAL TESTS OF GRAVITATIONAL THEORY

Revised September 2013 by T. Damour （IHES, Bures-sur-Yvette, France）. Einstein＇s General Relativity, the current ＂standard＂ theory of gravitation, describes gravity as a universal deformation of the Minkowski metric：

PERIODIC TABLE OF THE ELEMENTS

Table 4.1.Reviced 2011 by D.E.Groom（LBNL）,and E.Bergren.

PARTICLE DETECTORS FOR NON-ACCELERATOR PHYSICS

Updated 2013 （see the various sections for authors）.34.1. Introduction Non-accelerator experiments have become increasingly important in particle physics. These include classical cosmic ray experiments, neutrino oscillation measurements, and searches for double-beta decay, dark matter candidates, and magnetic monopoles.

INTERNATIONAL SYSTEM OF UNITS(SI)

See ＂The International System of Units （SI）,＂ NIST Special Publication 330, B.N. Taylor, ed. （USGPO, Washington, DC, 1991）; and ＂Guide for the Use of the International System of Units （SI）,＂ NIST Special Publication 811, 1995 edition, B.N. Taylor （USGPO, Washington, DC, 1995）.

HEAVY-QUARK AND SOFT-COLLINEAR EFFECTIVE THEORY

Updated September 2013 by C,W. Bauer （LBNL） and M. Neubert （U. Mainz）.17.1. Effective Field Theories Quantum field theories represent the most precise computational tool for describing physics at the highest energies. One of their characteristic features is that they almost inevitably involve multiple length scales. When trying to determine the value of an observable,

PASSAGE OF PARTICLES THROUGH MATTER

Revised September 2013 by H. Bichsel （University of Washington）, D.E. Groom （LBNL）, and S.R. Klein （LBNL）.

ELECTRONIC STRUCTURE OF THE ELEMENTS

Table 5.1. Reviewed 2011 by J.E. Sansonetti （NIST）. The electronic configurations and the ionization energies are from the NIST database, ＂Ground Levels and Ionization Energies for the Neutral Atoms,＂ W.C. Martin, A. Musgrove, S. Kotochigova, and J.E. Sansonetti, http：//www.nist .gov/pml/data/ion_energy. cfm. The electron configuration for, say, iron indicates an argon electronic core （see argon） plus six 3d electrons and two 4s electrons.