Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

The recently proposed renormalized (R) and completely renormalized (CR) coupled-cluster (CC) methods of the CCSD[T] and CCSD(T) types have been implemented using recursively generated intermediates and fast matrix multiplication routines. The details of this implementation, including the complete set of equations that have been used in writing efficient computer codes, memory requirements, and typical CPU timings, are discussed. The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) computer codes and similar codes for the standard CC methods, including the LCCD, CCD, CCSD, CCSD[T], and CCSD(T) approaches, have been incorporated into the gamess package. Information about the main features of this new set of CC programs is provided.     

实现多层混合刻蚀薄膜大面积均匀的方法浅探

采用多层光刻工艺结合氩离子铣的混合刻蚀方法，刻蚀高Ｔｃ超导ＹＢａＣｕＯ／ＺｒＯ２（１００）薄膜图形，取得了较好的结果。在进行氩离子镜的工艺步骤中，使用普通氩离子铣设备（离子束斑极不均匀），但采取了一定的措施─－使被刻样品在刻蚀台座上可移动，模糊地实现了薄膜的相对＂大面积＂（直径φ≥２０ｍｍ）均匀刻蚀─－可同时刻蚀２～３片６ｍｍ×１０ｍｍ薄膜，并且被刻蚀部分表面起伏约在１０ｎｍ左右。图形样品的最小线条达２μｍ，其Ｔｃ、Ｊｃ人与刻蚀前薄膜的Ｔｃ、Ｊｃ相当，即：ＴＣ为８５～９０Ｋ，Ｊｃ～１０６Ａ／ｃｍ２（在７７Ｋ下）。     

激光辐照对不同饵料微藻生长的影响

利用Nd:YAG激光(波长1.06μm,功率5W,照射时间0.5-3min)和Ar 激光(波长:488nm,功率70mw,照射时间5-20min)分别照射角毛藻和叉鞭金藻,辐照后进行细胞增殖和生长速率的测定。实验结果表明:照射剂量为1min的Nd:YAG激光及剂量为5min的Ar 激光对叉鞭金藻有较明显的促长效果,这两种激光处理组的细胞增殖量在辐照后的两天内较对照组分别高42.9%和48.1%,但这种促长效果随时间的推移逐渐消失。不同剂量的两种激光辐照角毛藻后,在延滞期均出现生长抑制现象,但进入指数生长期或传代培养后,剂量为1min的Nd:YAG激光及剂量为10min的Ar 激光对角毛藻有明显的促长效果,其中在指数生长期1min剂量的Nd:YAG激光处理可促长27.0%,传代培养后10min的Ar 激光处理组生长速率提高达51.2%。本文对不同激光及不同激光参数条件下,两种饵料藻的耐受性及生长特性的差异也进行分析探讨。本实验结果不仅证实了已有研究的推论,还展示出激光技术在饵料藻种选育中的应用前景。     

Comparative studies on Ar and He closed-cycle MHD power plants combined with fossil fuel

Comparative studies on Ar and He closed-cycle MHD power plants combined with fossil fuel are performed. The sizes of a regenerative heat exchanger and a boiler are expected to be smaller for He than for Ar. The pressure loss of a working gas in a regenerative heat exchanger is reduced for He. The purification subsystem for He is expected to be more compact and economical than that for Ar; but a larger compressor is required for He than for Ar.     

Instability of zeolite Y supported cobalt sulfide hydrotreating catalysts in the absence of H2S

Ion exchanged CoNaY was sulfided at 473 and 673 K and subsequently heated in He at 673 and 773 K. The resulting samples were characterized by means of overall sulfur analysis, temperature programmed Ar treatment and Fourier transform infrared spectroscopy. It was shown that during He flushing at sufficiently high temperature a protolysis reaction occurs resulting in the decomposition of Co sulfide into Co²⁺ ions and H₂S.     

江西浒坑钨矿含矿韧性剪切带及其^40Ar-^39Ar年代学约束

江西省浒坑钨矿是一个大型石英脉黑钨矿矿床,含矿石英脉除了块状石英脉以外,还大量发育条带状石英脉。本文针对条带状石英脉进行了专门研究,认为条带状石英脉实质上是韧性剪切带,以透入性发育的剪切面理和拉伸线理、剪切透镜体、剪切分异条带普遍发育为特色。剪切带岩石以石英质糜棱岩为主,具有丰富的塑性变形显微构造特征。显微剪切指向构造统计表明,东西向和北西向脉组的运动方式均以左旋正滑为主,近水平脉组则以正滑为主。北西向韧性剪切带的新生绢云母^40Ar-^39Ar坪年龄为140．3±1．0Ma,相应的等时线年龄为139．6±2．4Ma;而东西向韧性剪切带绢云母^40Ar-^39Ar坪年龄则比较复杂,高温阶段年龄可能受到成矿期白云母残斑的影响,中温阶段的表观年龄和总气体年龄更接近前一样品的坪年龄。据此认为韧性剪切变形的年龄为140Ma左右,韧性变形发生在成岩和成矿之后。条带状石英脉系块状石英脉韧性剪切改造而成,推测其形成主要与晚期补充岩体的斜向上侵作用有关,但更为合理的模式需要更多资料的进一步证实。     

N_2，H_2，Ar在正辛醇中高压溶解度的测定

测定了温度范围在０～４５℃，压力达到８４．６×１０￣５ｐａ时，Ｎ＿２，Ｈ＿２，Ａｒ在正辛醇中的７５点高压气体溶解度数据，并提出一个由高压实验数据回归常压溶解度的方法。     

熔炼铝青铜吹氩工艺试验

介绍了熔炼铝青铜吹氩工艺。该工艺不仅能解决铸件夹杂、气孔缺陷，而且可使用１００％回炉料进行熔炼。     

移动式~(37)Ar快速测量原型系统演示总结报告

研制了用于全面禁止核试验条约现场视察的移动式37Ar快速测量原型系统。进行了移动式37Ar快速测量原型系统演示活动。演示活动通过车载运输、模拟样品快速分离纯化测量、地下样品快速取样分离纯化测量、取样有效性四个场地试验和三次实验室验证测试,全面展示和验证了移动式37Ar快速测量原型系统的技术状态和性能指标。演示结果表明:移动式37Ar快速测量原型系统最小探测下限满足探测当量大于1kt的地下核试验的要求,且具有“机动、快速、小型”的特点,但系统仍需在降低探测限、增强稳定性和自动化程度等方面开展进一步研究工作。     

Analysis of Plasma Reaction for Decomposition of CHF3 in a Dielectric Barrier Discharge

The decomposition of CHF₃ in a mixture with O₂ and Ar was investigated in a coaxial dielectric barrier discharge at atmospheric pressure. CHF₃ decomposition increased linearly in regard to specific energy input (SEI), whereas energy efficiency decreased. The main product was CO_2, and its selectivity increased with high SEI and the presence of O₂ in the feed, but an increase of O₂ in the feed led to a decrease in decomposition rate. An increase in total flow rate led to an increase of the absolute amount of CHF₃ decomposition and energy efficiency; however, the decomposition of CHF₃ decreased. A complete CHF₃ decomposition occurred under an SEI of 1.54 kJ/L with the selectivity of CO₂ and CO as 89.87% and 7.00%, respectively. Optical emission spectroscopic analysis could explain the available reaction pathways for CHF₃ decomposition in the CHF₃/O₂/Ar atmospheric plasma and show the possibility of F₂ and HF formation.