共查询到20条相似文献,搜索用时 125 毫秒
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2DNMR在波谱学的化学应用中占据首要位置。本文简述了COSY,LRCOSY,COSYDEC,SECSY,DQC-COSY,RCT,INADIQUATE,RELAY,INVERSE,NOESY,HOESY,OHAHA,ROESY,HMQC,HMBC等谱的形状,指认步骤及其应用。 相似文献
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解析地研究了电子束在相对论速调管放大器(RKA)的调制腔和漂移管中的预群聚;第一次用粒子-波相互作用的场方法导出了在辐射腔中预群聚电子束产生辐射的自洽方程;并且计算了线性区的增益. 相似文献
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Su Kehe Department of Chemical Engineering Northwestern Polytechnical Univ. Xi′an Shaanxi P. R. China Carol A. Deakyne Department of Chemistry Eastern Illinois University Charleston IL U. S. A. Joel F. Liebman Department o 《原子与分子物理学报》1997,(1)
G2PREDICTIONOFTHEENTHALPIESOFFORMATIONFORSOMEDIATOMICCATIONSANDNEUTRALSSuKeheDepartmentofChemicalEnginering,NorthwesternPoly... 相似文献
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用含时波包(TDWP)理论计算了具有两个不同产物道的反应HD+H→H+DH,D+H2的初态确定的反应几率及生咸物的分支比。在利用分解算符法进行波包传播的过程中,采取了分立变量表象(DVR)及分立交量-有限基表象(DVR—FBR)变换,这一方法降低了传播过程中需保存大变换矩阵的要求。通过应用能量投影法,可从单一波包中抽出许多能量确定的动力学信息。为了避免因所选取的格点范围有限而引起的波函数在边界点附近的反射,传播过程中还采用了光学势以吸收反射波函。 相似文献
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EFFECTOFRADIALELECTRICALFIELDONNEOCLASSICALTRANSPORTINTOKAMAKSEFFECTOFRADIALELECTRICALFIELDONNEOCLASSICALTRANSPORTINTOKAMAKS¥... 相似文献
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Ma Xinwen Wang Youde Hou Mingdong Jin Gengmin Institute of Modern Physics Academia Sinica Lanzhou September 《原子与分子物理学报》1996,(3)
HIGHLYCHARGEDATOMICPHYSICSATHIRFL-CSRMaXinwenWangYoudeHouMingdongJinGengminInstituteofModernPhysics,AcademiaSinica,Lanzhou73... 相似文献
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Chen Zhangjin Shi Qicun Chen Ji Xu Kezun Department of Modern Physics University of Science Technology of China Hefei 《原子与分子物理学报》1997,(1)
ELECTRONMOMENTUMSPECTRAOFEXCITEDHe(21S)ANDHe(23S)ChenZhangjinShiQicunChenJiXuKezunDepartmentofModernPhysics,UniversityofScien... 相似文献
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电子束对LY12硬铝的损伤效应 总被引:2,自引:0,他引:2
对LY12硬铝受到电子束辐照时产生的热激波及材料的损伤破坏效应进行了理论计算,将计算值同实验结果进行比较,二者基本上是一致的。在研究中等能量沉积产生材料的破坏效应时,应适当考虑材料的熔化过程,所用的状态方程是GRAY三相状态方程,而在研究材料的损伤破坏时,我们修正了计及损伤效应的Bodner-Partom本构模型。 相似文献
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Semi-empirical equations of state (EOS) are used for interpolation and extrapolation of experimental data and/or electronic structure calculations. For calculation of phase equilibria, it is preferable to use an explicit Gibbs free energy EOS, that is, to express the Gibbs free energy directly as a function of the pressure and temperature. Existing explicit Gibbs free energy EOS formulations often give unphysical predictions at high pressures. The origins of these problems are internal inconsistencies and uncontrolled extrapolations. A set of conditions is put forward, that should be fulfilled by semi-empirical EOS formulations in order to constrain them to known physical behaviour, e.g., to the Thomas-Fermi and quasi-harmonic models at high pressures. A new alternative integration path is devised that eliminates the need for the problematic extrapolation of the heat capacity to high temperatures at low pressures. Based on these developments, a new explicit Gibbs free energy EOS is formulated which is suitable for computational applications. The new EOS may be fitted to represent the thermophysical properties of solids with a reasonably small number of adjustable parameters. A sample application for MgO is presented. 相似文献
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将冲击Hugoniot线作为Grüneisen物态方程的参考线,以冲击的初始状态为参考状态,推导得到线性和二次曲线表示的冲击绝热线所对应的等熵压缩线方程,计算了200 GPa压力范围内铝和铜两种材料的等熵压缩线,并且计算了以Hugoniot关系为基础的Appy经验物态方程导出的等熵压缩线。计算结果表明,以Appy经验物态方程导出的等熵压缩线与以线性冲击绝热线导出的等熵压缩线接近,在200 GPa压力范围内两者相差不到1.5%。将计算得到的铝的等熵压缩线与美国Sandia实验室ICE实验Z864数据进行了比较,由线性Hugoniot得到的等熵压缩线与实验数据相差不到1%,由Appy经验物态方程得到的等熵线与实验数据几乎重合,说明在200 GPa压力范围内,以Appy物态方程和以线性Hugoniot为参考来计算的等熵压缩线有较高的精度。 相似文献
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在室温下,利用离子加速器对纯铝透射样品分别注入He+,Ne+和Ar+三种惰性气体离子,通过透射电子显微镜原位观察分析了纯铝中三种气体气泡在电子束辐照下形貌及电子衍射花样的变化.实验表明,在200 keV电子束辐照下,三种惰性气体气泡均会合并长大,亮度逐渐增强,最终破裂,气泡内部产生许多约几个纳米的黑色斑点衬度像,选区电子衍射花样由单晶斑点衍射花样变为多晶衍射环.这一现象的原因可能是气泡在电子束辐照过程中发生了放热反应,使气泡附近铝熔化后再结晶产生多晶,从而在电子衍射花样中观察到了多晶衍射环.然而,氦气泡在80 keV电子束辐照下氦气泡形貌和选区电子衍射花样保持不变,辐照后衍射花样中无多晶衍射环产生;氦氩混合气体气泡在200 keV电子束辐照下气泡形貌和选区电子衍射花样同样保持不变;这可能与电子束能量和气泡内气体压力有关. 相似文献
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AL L CORE EDGE FINE STRUCTURE IN Al, AlN AND α-Al2O3:A COMPARISON OF MICROELECTRON ENERGY LOSS SPECTRA WITH THEORY 下载免费PDF全文
The Al L near-edge fine structures of aluminum and its compounds with nitrogen and oxygen are studied using electron energy loss microspectroscopy in a transmission electron microscope. These edges are normalized to the same scattering cross section per Al atom per electronvolt. The cross section is calculated by using the Born approximation. The contributions to the cross section are from the valence shell crystal states obtained by using the extended Hückel band calculation and the ionization states obtained by using the electron gas model. The chemical effects in the ionization region are taken into account by in cluding the contributions from the elastic backscattering of outgoing plane waves by the atoms that neighbor the excited atoms. The results by theoretical calculation agree semiquantitatively with experimental results. 相似文献
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AL L CORE EDGE FINE STRUCTURE IN Al,AlN AND α-Al2O3:A COMPARISON OF MICROELECTRON ENERGY LOSS SPECTRA WITH THEORY 下载免费PDF全文
The Al L near-edge fine structures of aluminum and its compounds with nitrogen and oxygen are studied using electron energy loss microspectroscopy in a transmission electron microscope. These edges are normalized to the same scattering cross section per Al atom per electronvolt. The cross section is calculated by using the Born approximation. The contributions to the cross section are from the valence shell crystal states obtained by using the extended Hückel band calculation and the ionization states obtained by using the electron gas model. The chemical effects in the ionization region are taken into account by in cluding the contributions from the elastic backscattering of outgoing plane waves by the atoms that neighbor the excited atoms. The results by theoretical calculation agree semiquantitatively with experimental results. 相似文献
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强流脉冲电子束在材料中的能量沉积剖面、能量沉积系数和束流传输系数受其入射角的影响很大,理论计算了0.5~2.0MeV的电子束以不同的入射角在Al材料中的能量沉积剖面和能量沉积系数,并且还计算了0.4~1.4MeV电子束以不同入射角穿透不同厚度C靶的束流传输系数。计算结果表明,随着入射角的增大,靶材表面层单位质量中沉积的能量增大,电子在靶材料中穿透深度减小,能量沉积系数减小,相应的束流传输系数也减小;能量为0.5~2.0MeV的电子束当入射角在60°~70°时在材料表面层单位质量中沉积的能量较大。 相似文献
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用从头算方法优化计算了面心立方铝的电子结构和总能,得到了它在零温下的状态方程和弹性性质.将得到的总能与晶格体积拟合到Debye模型,获得了非平衡态下的Gibbs自由能与温度、压力之间的关系,在此基础上计算了相应的热状态方程,利用Burakovsky-Preston-Silbar (BPS) 熔化模型计算了铝的熔化曲线.所有的电子结构和总能计算都是基于局域密度近似(LDA)和广义梯度近似(GGA)的平均得到的.计算得到的铝在高温、高压下的状态方程与一些热力学性质和熔化曲线同冲击波和静高压实验数据在225 G
关键词:
铝
热力学状态方程
从头算
熔化曲线 相似文献