The XRD results showed that there was not any pure nickel or nickel-oxide in the samples, and the majority of Ni atoms was incorporated at Zn substitutional sites.

運(yùn)用X射線衍射分析表明樣品中不存在鎳及鎳的氧化物，鎳進(jìn)入晶格中取代了部分Zn原子的位置在线视频免费观看欧洲。

In addition, laser induced thermoelectric voltage effect was measured for the first time in these superlattices thin films. This experimental phenomenon illustrate that this kind of artificial atomic layer thermopile structure possesses Seebeck anisotropy.

在超晶格薄膜中首次發(fā)現(xiàn)了激光感生熱電電壓效應(yīng)，說(shuō)明這種人造原子層熱電堆結(jié)構(gòu)具有Seebeck系數(shù)各向異性。

Using the one-atom theory, the electronic structures of Pt-electrocatalyst with fcc structure was determined as follows:(5dn)6.48 (5dc)2.02 (6sc)1.48(6sf)0.02. Compared to the result obtained by the first-principle method such as FP-LMTO, CASTEP, their results are in good agreement with each other. Comparing the calculations of physical properties such as lattice constants, cohesive energy and bulk modulus by OA method and first-principle method, the result obtained by OA method is in excellent agreement with experimental value, but the result obtained by first-principle method is not accordable. The relationship between the electronic structures and catalytic performance was explained qualitatively by OA method and first principle method according to its electronic structures. Because the d-orbital vacancies increases and static density is high around Fermi energy band, Pt has good catalytic performance.

摘 要：依據(jù)純金屬單原子理論確定面心立方結(jié)構(gòu)電催化劑Pt的電子結(jié)構(gòu)為(5dn)6.48(5dc)2.02-(6sc)1.48(6sf)0.02欧美区精品视频，與采用第一原理的FP-LMTO和CASTEP等方法所計(jì)算的電子結(jié)構(gòu)相比較亚洲色区天天干，其結(jié)果非常相近；由OA理論和第一原理方法計(jì)算的晶格常數(shù)人人cao96、結(jié)合能第四色激情小说、體彈性模量等物理參數(shù)進(jìn)行比較，OA理論計(jì)算的結(jié)果與實(shí)驗(yàn)值較符合男女刺激床爽爽视频动态图，而第一原理方法計(jì)算的結(jié)果與實(shí)驗(yàn)值相差較大强奸网站网址大全；在此基礎(chǔ)上用OA理論和第一原理方法研究了Pt的電子結(jié)構(gòu)與催化性能的關(guān)系，由于d帶空穴增多和費(fèi)米能級(jí)附近態(tài)密度較高欧美视频亚洲视频，導(dǎo)致金屬Pt的催化性能很好最新亚洲国产精品丝袜在线观看。

In this model the carbon atom amount, which exist in austenitic crystal lattice, decided the structure size.

在這一模型中決定&有序簇聚結(jié)構(gòu)&尺寸的一個(gè)重要因素是奧氏體晶格點(diǎn)陣中實(shí)際固溶的碳原子數(shù)量。

The diffusion of ethanethiol in MFI and MOR was investigated by Molecular Dynamics.

采用分子動(dòng)力學(xué)方法模擬計(jì)算了乙硫醇分子在MFI和MOR兩種拓?fù)浣Y(jié)構(gòu)沸石中的動(dòng)力學(xué)性質(zhì)男女怕怕视频，比較了乙硫醇不同負(fù)載量和沸石晶格原子剛性和柔性?xún)煞N狀態(tài)下乙硫醇分子在沸石孔道中擴(kuò)散系數(shù)的大小www午夜三片。

To introduce perturbation corrections of lattice strain intosemiempirical MO calculations,we have written out the programs,STRAIN+SPHF,for calculating perturbation corrections of lattice strain,based onsemiempirical MO calculation program package MOPAC3.0.In principle,the theoretical method and program for calculating corrections of latticestrain can be employed for the studies of growth mechanisms for diamondfilms or other non-metallic films on any non-metallic heterogenic substrates.

運(yùn)用引入晶格應(yīng)變修正的AM1半經(jīng)驗(yàn)分子軌道方法和不包含該修正的AM1方法，通過(guò)在Si(100)和(111)襯底表面上提取H原子以及CH3和C2H2吸附過(guò)程的計(jì)算比較研究在线观看播放国产日韩视频，發(fā)現(xiàn)包含應(yīng)變修正的結(jié)果比不包含該修正的結(jié)果更準(zhǔn)確地描述了Si襯底上發(fā)生的化學(xué)反應(yīng)過(guò)程久久国内精品，并且還能夠揭示出無(wú)應(yīng)變修正結(jié)果中沒(méi)有揭示出的表面物理化學(xué)現(xiàn)象。

A model of linear strain relaxation is proposed to obtain the interatomic longitudinal spacings of the strained superlattice.

在線性馳豫應(yīng)變假設(shè)下給出了應(yīng)變超晶格縱向原子間距的幾何模型欧美性爱视频黑白配。

The obtained interatomic pair-potentials are confirmed by applications in calculation of lattice dynamics of BCC-alkali metals by Born-von Karman model.

作為對(duì)獲得的原子間相互作用勢(shì)的驗(yàn)證黄视频在线品，我們應(yīng)用Born-von Karman模型，計(jì)算了BCC結(jié)構(gòu)堿金屬的晶格動(dòng)力學(xué)精品视频二区。

If an additive of B less than 1.37 at.-%, some of B atoms solid-dissolved interstitially into matrix and distorted the lattice, thus the lifetime of positron in matrix dilated; the others of them segregated on vacancy-like defects and formed" filling effect", thus the mean lifetime and S parameters decreased. If B added up to 2.22 at.

在Ni_3Al合金中加入少量硼(≤1.37％)時(shí)日韩中文无码手机下载网站大全，一部分硼原子以間隙方式溶解到基體中，使晶格發(fā)生畸變大黄片坐爱视频，導(dǎo)致基體中正電子壽命增長(zhǎng)国产精品国产三级传区网站；另一部分硼偏聚到空位型缺陷上，產(chǎn)生&填充效應(yīng)&性色av一区二区三区V视界影院，導(dǎo)致平均壽命■和S參數(shù)下降久久精品中文视频。

The dependence of structural parameters including lattice constants, rhombohedral angle, and atomic coordinates on pressure was also studied.

對(duì)鍺R8相結(jié)構(gòu)參數(shù)的壓力依賴(lài)性也進(jìn)行了研究，包括晶格常數(shù)人人摸人人草人人操、傘狀角欧美亚洲日韩国产精品第6页、原子位置參數(shù)隨壓力的變化情況。