α-β石英相变的应变参数计算及其地质意义

 利用已有的α和β石英压缩性、热膨胀性、弹性及相变温度压力资料，计算了α-β石英相转变时，α和β石英的晶胞参数。依据虎克定律以及高压下β石英的弹性参数，估算了α-β石英相转变时的应变、应力和应变能。结果表明，在0~1.1 GPa条件下，随压力升高，α-β石英相变的线应变介于-0.006~0.005之间，体应变介于-0.016~0.012之间，应力介于-0.46~0.14 GPa之间；应变能介于965~2 760 kJ/m³之间。压力为0.5 GPa左右时，α-β石英相变的应变、应力和应变能均达到最小值。在此基础上，讨论了壳内大规模酸性岩浆活动引起的α-β石英相变对壳内岩石的作用。     

厄米-余弦-高斯光束的传输特性

 从广义惠更斯-菲涅耳衍射积分出发对厄米-余弦-高斯光束的传输特性作了研究，给出了厄米-余弦-高斯光束通过近轴ABCD光学系统的解析传输公式，以厄米-余弦-高斯光束通过自由空间和薄透镜系统为例做了数值计算和分析，结果表明厄米-余弦-高斯光束在自由空间传输时不能保持其形状不变。厄米-双曲余弦-高斯光束、余弦-高斯光束、厄米-高斯光束的传输公式可作为厄米-余弦-高斯光束的特例得出。     

基于太赫兹辐射的糖类异构体信息提取方法研究

应用太赫兹时域光谱系统（THz-TDS）获取了两种互为异构体的糖类D-(+)-葡萄糖和D-(-)-果糖的太赫兹吸收谱，发现D-(+)-葡萄糖和D-(-)-果糖在0.3～1.72 THz频段内太赫兹吸收峰位存在明显区别，可以由1.41和1.66 THz两个吸收峰位鉴别D-(+)-葡萄糖和D-(-)-果糖。为研究D-(+)-葡萄糖太赫兹光谱吸收峰形成机理，首先构建了D-(+)-葡萄糖的单分子构型，采用密度泛函理论中的B3LYP泛函，利用Gaussian09完成对D-(+)-葡萄糖单分子构型的结构优化与频率计算。将量子化学计算结果与实验谱对比发现，基于D-(+)-葡萄糖单分子构型的量子化学计算结果与实验谱差异较大。然后构建了D-(+)-葡萄糖晶胞构型，采用广义梯度近似中的PBE泛函，利用CASTEP软件完成对D-(+)-葡萄糖晶胞构型的结构优化与频率计算。将量子化学计算结果与实验谱对比发现，基于D-(+)-葡萄糖晶胞构型的量子化学计算结果与实验谱较为吻合。D-(+)-葡萄糖晶胞构型量子化学计算时，因较为全面的考虑了分子间的氢键及范德华力的作用，说明D-(+)-葡萄糖在1.41 THz处吸收峰的形成为分子间弱相互作用。其次通过Materials Studio 2017软件指认了D-(+)-葡萄糖在1.41 THz吸收峰处的振转模式，发现D-(+)-葡萄糖在1.41 THz吸收峰主要是分子之间的相互作用，进一步说明D-(+)-葡萄糖在1.41 THz处的吸收峰主要是分子间的弱相互作用。在量子化学计算结果的基础上利用Multiwfn软件对D-(+)-葡萄糖晶胞进行RDG计算，利用VMD软件对D-(+)-葡萄糖晶胞中分子间的弱相互作用的类型、位置和强度进行可视化研究。研究结果表明，利用太赫兹时域光谱技术能够敏锐地感知糖类物质结构的细微变化，并能够正确鉴别其同分异构体。     

外电场对2-氟-5-溴吡啶分子结构与电子光谱影响的研究

采用密度泛函B3LYP方法，在6-311++g(3df,3pd)基组水平上优化了不同外电场下2-氟-5-溴吡啶分子的基态稳定构型、电偶极矩和分子的总能量，在此基础上利用杂化CIS方法研究了外电场下2-氟-5-溴吡啶分子的前9个激发态的激发能、波长和振子强度受外电场的影响规律。结果表明：5C-9Br和3C-10F间键长受到X轴向外场影响最大，随着外电场的继续增加，可能最先趋于断裂；在外电场F=-0.005a.u.时总能量达到最大，而偶极矩达到最小；LUMO能级受外场影响较大，HOMO能级受外电场影响较小；激发波长、振子强度也受外电场影响，但随电场变化比较复杂。     

水杨醛类希夫碱在LB膜上的光谱性能的研究

合成了两种末端碳锭长度不同的水杨醛类希夫碱N-十二烷基（2-羟基-5-硝基苯甲亚胺）和N-十六烷基（2-羟基-5-硝基苯甲亚胺），研究了它们在气-液界面上的成膜性能，并通过紫外、荧光、红外显微镜等光谱手段对它们在LB膜上的性能进行了表征。实验结果表明两种希夫碱分子在LB膜中都形成了J-聚体，末端碳链较长的希夫碱 成膜性能相对较好，并且在膜上也能光致发光，但希夫碱分子的LB膜存在一定的缺陷。     

二阶导数分光光度法测定微量锌

研究了在Tritonx-100体系中，以1-（2-吡啶偶氮）-2-萘酚（PAN）为显色剂，在PH8.7条件下，先用柠檬酸钠掩蔽大部分的铁，然后用二阶导数分光光度法消除残存的铁、铜、锰、钴的干扰，从而测定含铁络合物中微量锌。方法精密度和准确度均为满意。     

苯-水混合液体的乳化机理研究

 以研究液体混合材料的冲击压缩状态方程和高温高压条件下的相变机理为最终目标，测量了在常态下苯-水-乳化剂三元样品均匀混合的表面张力、稳定性和粒度分布等量化指标，并讨论了不同制备方法对乳状液性质的影响。实验数据表明，苯-水-乳化液属于热力学不稳定体系；表面张力介于苯和水的张力之间，但不等于二者的简单平均，这与文献值一致；苯-水-乳液的制备、存储和使用环境温度不易超过53 ℃；用超声波处理后的乳液粒度分布区域变窄，但平均粒度变化不明显。本研究为解决液体混合物、特别是难于互溶的多元液体物质爆轰实验样品初始状态的量化难题提供了可靠的数据，对类似实验的制样也具有参考价值。     

自组装有机分子薄膜的可逆超高密度信息存储

信息技术的迅速发展对信息存储密度提出了越来越高的要求，采用自组装方法研究了有机分子4’-氰基-2，6-二甲基-4-羟基偶氮苯（4’cyano-2，6-dimethyl-4-hydroxy azobenzene）的成膜特性．通过在扫描隧道显微镜的针尖和基底之间加脉冲电压在薄膜上进行信息点的写入，得到了直径为1．8nm的信息点，并分析了信息点形成的机理．     

时间分辨荧光免疫分析的双向螯合剂-BCPDA的合成与表征(Ⅱ)

本文是在三步法合成用于时间分辨激光荧光免疫分析的4，7-二（氯磺酰基苯基）-1，10-菲罗啉-2，9-二羧酸（BCPDA）基础上，为提高产物纯度，探讨五步合成方法。本法经氯化、酯化、制备二钠盐、还在二羧酸、磺化，获得了目标产物--BCPDA。研究了中间产物重结晶条件和结构参数。并将五步合成目标产物与三步合成的目标产物的结果通过熔点、红外光谱、核磁共振氢谱、元素分析及其某些物理、化学性质进行了报道。与国外文献结果具有较好的一致性，正在进行的标记分析实验证实了BCPDA的双重功能。     

新型β-氨基醇及其中间体的合成与波谱研究

由D-木糖出发，经过杂D-A 反应、Henry反应、合成了中间体(1αS，2αR， 3αS，4S，7E，9αR，10αR)-1，2∶9，10-O-二异丙叉基-3-硝甲基-5，6-二脱氧-7-烯-4-氧化-1，4∶7，10-二呋喃-4，8-吡喃糖（化合物1），再经催化氢化，立体选择性地得到了含高碳糖结构片断的β-氨基醇(1αS，2αR， 3αS，4S，7αS，8βR，9αR，10αR)-1，2∶9，10-O-二异丙叉基-3-氨甲基-5，6-二脱氧-4-氧化-1，4∶7，10-二呋喃-4，8-吡喃糖（化合物2）， 通过DEPT和¹H-¹H COSY，HMQC，HMBC等2D NMR 技术对化合物1的¹H和¹³C NMR数据进行了全归属和较详细的解析并探讨了其ESI-MS/MS质谱裂解规律. 同时得到化合物1的还原产物化合物2的¹H，¹³C NMR归属.     

Gerson Goldhaber: A Life in Science

I draw on my interviews in 2005–2007 with Gerson Goldhaber (1924–2010), his wife Judith, and his colleagues at Lawrence Berkeley National Laboratory. I discuss his childhood, early education, marriage to his first wife Sulamith (1923–1965), and his further education at the Hebrew University in Jerusalem (1942–1947) and his doctoral research at University of Wisconsin at Madison (1947–1950). He then was appointed to an instructorship in physics at Columbia University (1950–1953) before accepting a position in the physics department at the University of California at Berkeley and the Radiation Laboratory (later the Lawrence Berkeley Laboratory, today the Lawrence Berkeley National Laboratory), where he remained for the rest of his life. He made fundamental contributions to physics, including to the discovery of the antiproton in 1955, the GGLP effect in 1960, the psi particle in 1974, and charmed mesons in 1977, and to cosmology, including the discovery of the accelerating universe and dark energy in 1998. Beginning in the late 1960s, he also took up art, and he and his second wife Judith, whom he married in 1969, later collaborated in illustrating and writing two popular books. Goldhaber died in Berkeley, California, on July 19, 2010, at the age of 86.     

In Memoriam

In 1905 Lord Kelvin (1824–1907) was awarded the second John Fritz Medal for a lifetime of outstanding achievements in science and technology. I sketch Kelvin’s life, education, and work in thermodynamics, electrical technology, and instrumentation, and his role in the laying of the Atlantic cable. I then turn to Kelvin’s four visits to America, in 1876 on the centenary of the Declaration of Independence of the United States of America; in 1884 when he gave his famous Baltimore Lectures at The Johns Hopkins University; in 1897 when he visited Niagara Falls for the third time and advised George Westinghouse (1846–1914) on how to develop its enormous water power for the generation of electricity; and in 1902 when he advised George Eastman (1854–1932) on the development of the photographic industry. Written in connection with the Kelvin Centenary Year 2007; see “Celebrating the Life of Lord Kelvin,” University of Glasgow News Review No. 11 (2007), 4. Matthew Trainer: Matthew Trainer received his M.Phil. degree in physical sciences at the University of Edinburgh in 1980 and currently is a laboratory instructor at the University of Glasgow where his research focuses in part on the life and work of Lord Kelvin.     

Science Sights in Utrecht

I provide a tour of Utrecht, focusing on its scientific highlights. I begin at the Dom or cathedral, Utrecht’s landmark, the Academy, and the University Museum, then proceed to the Royal Dutch Meteorological Institute and astronomical observatory on the Sonnenborgh, and end with a visit to the Minnaert Building, the present home of the Faculty of Physics and Astronomy of the University of Utrecht.     

My Life in Nuclear Physics, Photography, and Opera

I sketch my life as an experimental nuclear physicist, beginning as a graduate student at Harvard University from 1948 to 1951, then as a postdoctoral fellow at the Cavendish Laboratory from 1951 to 1952, and finally as a faculty member at the University of Minnesota from 1952 until my retirement in 1991. I also carried out research at the Niels Bohr Institute in Copenhagen, Indiana University, and Los Alamos National Laboratory, and I participated in a number of summer schools and international conferences on nuclear physics. I also have worked in photography and opera. Over the years, I met and collaborated with many people in many walks of life who became friends for life.     

Multipart wave functions

Some wave functions separate into two or more distinct regions in phase space. Each region is characterized by a trajectory and a spread about that trajectory. The trajectory is the quantum mechanical current. We show that these regions correspond to parts of the wave function and that these parts are generally nonorthogonal.My interest in physics was inspired, as an undergraduate, by the remarkable books of Henry Margenau, particularlyFoundations of Physics andThe Mathematics of Physics and Chemistry. I never imagined then that I would have the good forture of being his student. It is a pleasure and an honor to dedicate this article to him as a small expression of my deep appreciation.     

矢志照亮全中国——徐叙瑢院士访谈录

通过对徐叙瑢院士读书、教学、科研几个方面的访谈,从求学西南联大、留学苏联、开展发光学研究等几个阶段,反映其献身科学与教育的人生历程与卓越贡献.     

Fritz Reiche and the Emergency Committee in Aid of Displaced Foreign Scholars

I discuss the family background and early life of the German theoretical physicist Fritz Reiche (1883–1969) in Berlin; his higher education at the University of Berlin under Max Planck (1858–1947); his subsequent work at the University of Breslau with Otto Lummer (1860–1925); his return to Berlin in 1911, where he completed his Habilitation thesis in 1913, married Bertha Ochs the following year, became a friend of Albert Einstein (1879–1955), and worked during and immediately after the Great War. In 1921 he was appointed as ordentlicher Professor of Theoretical Physics at the University of Breslau and worked there until he was dismissed in 1933. He spent the academic year 1934–1935 as a visiting professor at the German University in Prague and then returned to Berlin, where he remained until, with the crucial help of his friend Rudolf Ladenburg (1882–1952) and vital assistance of the Emergency Committee in Aid of Displaced Foreign Scholars, he, his wife Bertha, and their daughter Eve were able to emigrate to the United States in 1941 (their son Hans had already emigrated to England in 1939).From 1941–1946 he held appointments at the New School for Social Research in New York, the City College of New York, and Union College in Schenectady, New York, and then was appointed as an Adjunct Professor of Physics at New York University, where his contract was renewed year-by-year until his retirement in 1958.     

Berkeley and Its Physics Heritage

I first sketch the settlement of Berkeley, California, the founding of the University of California at Berkeley, and the origin of its Department of Physics. I then discuss the pivotal role that Ernest O. Lawrence (1901–1958) and his invention and subsequent development of the cyclotron played in physics at Berkeley after his arrival there in 1928 through the Second World War and beyond. I close by commenting on the Lawrence Hall of Science, the educational center and science museum conceived as a living memorial to Lawrence.     

Laser spectroscopy applied to energy,environmental and medical research

Through the development of powerful laser spectroscopy techniques new means for advanced diagnostics and sample analysis have emerged. Applications of laser spectroscopy in the fields of energy, environmental and medical research are discussed. Emphasis is placed on non-intrusive diagnostic techniques for studying combustion processes, for remote monitoring of atmospheric pollutants and for industrial and medical applications of laser-induced fluorescence. Selected examples from work performed at the Lund Institute of Technology are used as illustrations, and references to books, reviews and selected papers are given.     

In Memoriam

I sketch the rich life and multifaceted work of Philip Morrison (1915–2005), from his early life in Pittsburgh, Pennsylvania, and higher education at the Carnegie Institute of Technology and the University of California at Berkeley, to his contributions to the Manhattan Project, his research at Cornell University and the Massachusetts Institute of Technology after the war, his subsequent political activity on behalf of nuclear disarmament, his role in the search for extraterrestrial intelligence, and his enormous influence as an educator, public speaker, and writer. A.P. French is Professor of Physics, Emeritus, at the Massachusetts Institute of Technology.