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51.
As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is
desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals.
We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate
the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation
(GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic
quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature.
We also obtain much closer agreement with experiment than earlier, more approximate calculations. 相似文献
52.
Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of
semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons
of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr). 相似文献
53.
Thomas S. Lowry John C. Bright Murray E. Close Christina A. Robb Paul A. White Stewart G. Cameron 《国际水资源开发杂志》2003,19(4):579-592
The primary objective of this project is to identify gaps, whether real or perceived, that hinder effective groundwater management in New Zealand. These gaps show as gaps in information, gaps in implementation, gaps in technological and management tools, and gaps in understanding of fundamental processes. The secondary objective is to propose a management strategy to close the identified gaps. Several methods are used to meet these objectives: surveys distributed to selected staff in each regional council; the review of various written reports; the analysis of land-use databases; and private consultation within each regional council. Results show that groundwater management in New Zealand is generally reactionary with the main gaps being in strategic planning and national guidelines. Most gaps appear to be predominantly information and implementation issues. In some cases there are gaps in the understanding of fundamental processes within an aquifer system, including the long-term effects of land-use on groundwater quality. An adaptive management approach is suggested as a means of closing these gaps. 相似文献
54.
Sheldon H. Jacobson Julie L. Virta Jon M. Bowman John E. Kobza John J. Nestor 《IIE Transactions》2003,35(3):259-269
Aviation security protects vital national interests, as well as passengers and aircraft. Key components of an aviation security system include baggage and passenger screening devices and operations. Determining how and where to assign (deploy) such devices can be quite challenging. Moreover, even after such systems are in place, it can be difficult to measure their effectiveness. This paper describes how discrete optimization models can be used to address these questions, based on three performance measures that quantify the effectiveness of airport baggage screening security device systems. These models are used to solve for optimal airport baggage screening security device deployments considering the number of passengers on a set of flights who have not been cleared using a security risk assessment system in use by the Federal Aviation Administration (i.e., passengers whose baggage is subjected to screening), the number of flights in this set, and the size of the aircraft for such flights. Several examples are provided to illustrate these results, including an example that uses data available from the Official Airline Guide. 相似文献
55.
Dual command travel times and miniload system throughput with turnover-based storage 总被引:2,自引:0,他引:2
Byung Chun Park Robert D. Foley John A. White Edward H. Frazelle 《IIE Transactions》2003,35(4):343-355
We analyze travel times for automated storage/retrieval systems. In particular, we apply our travel time model to turnover-based storage systems and determine the mean and variance of dual command travel times. We present detailed numerical results for selected rack shape factors and ABC inventory profiles. We then investigate the effect of alternative rack configurations on travel time performance measures. We also show how to determine the throughput of miniload systems with turnover-based storage and exponentially distributed pick times. 相似文献
56.
Superconducting qubits are solid state electrical circuits fabricated using techniques borrowed from conventional integrated circuits. They are based on the Josephson tunnel junction, the only non-dissipative, strongly non-linear circuit element available at low temperature. In contrast to microscopic entities such as spins or atoms, they tend to be well coupled to other circuits, which make them appealling from the point of view of readout and gate implementation. Very recently, new designs of superconducting qubits based on multi-junction circuits have solved the problem of isolation from unwanted extrinsic electromagnetic perturbations. We discuss in this review how qubit decoherence is affected by the intrinsic noise of the junction and what can be done to improve it.
PACS: 03.67.-a, 03.65.Yz, 85.25.-j, 85.35.Gv 相似文献
57.
Introduces the current issue of the American Psychologist, which examines the ramifications of the Brown vs. Board of Education decision and its sequelae over the last 50 years, with a special focus on the mixed role of psychological research and practice. Despite the great strides toward a more just society since May 17, 1954, inequities remain in schooling, in social relations, and in economic opportunity. How will history judge American psychology 50 years from now vis-a-vis the possibilities it helped create via Brown? The articles in this special issue suggest several important directions of research and action our field will need to take if the verdict of history is to be a positive one. (PsycINFO Database Record (c) 2010 APA, all rights reserved) 相似文献
58.
Use of X-ray computed microtomography to understand why gels reduce relative permeability to water more than that to oil 总被引:1,自引:0,他引:1
R. S. Seright J. Liang W. Brent Lindquist John H. Dunsmuir 《Journal of Petroleum Science and Engineering》2003,39(3-4):217
X-ray computed microtomography (XMT) was used to investigate why gels reduce relative permeability to water more than that to oil in strongly water-wet Berea sandstone. XMT allows saturation differences to be monitored for individual pores during various stages of oil, water, and gelant flooding. The method also characterizes distributions of pore size, aspect ratio, and coordination number for the porous media. We studied a Cr(III) acetate–HPAM gel that reduced permeability to water (at Sor) by a factor 80–90 times more than that to oil (at Swr). In Berea, the gel caused disproportionate permeability reduction by trapping substantial volumes of oil that remained immobile during water flooding (i.e., 43.5% Sor before gel placement versus 78.7% Sor after gel placement). With this high trapped oil saturation, water was forced to flow through narrow films, through the smallest pores, and through the gel itself. In contrast, during oil flooding, oil pathways remained relatively free from constriction by the gel. 相似文献
59.
Life is pleasant--and memory helps to keep it that way! 总被引:1,自引:0,他引:1
Walker W. Richard; Skowronski John J.; Thompson Charles P. 《Canadian Metallurgical Quarterly》2003,7(2):203
People's recollections of the past are often positively biased. This bias has 2 causes. The 1st cause lies in people's perceptions of events. The authors review the results of several studies and present several new comparative analyses of these studies, all of which indicate that people perceive events in their lives to more often be pleasant than unpleasant. A 2nd cause is the fading affect bias: The affect associated with unpleasant events fades faster than the affect associated with pleasant events. The authors review the results of several studies documenting this bias and present evidence indicating that dysphoria (mild depression) disrupts such bias. Taken together, this evidence suggests that autobiographical memory represents an important exception to the theoretical claim that bad is stronger than good. (PsycINFO Database Record (c) 2010 APA, all rights reserved) 相似文献
60.
John Chisholm 《数码世界》2004,3(19)
合作伙伴的实时反馈是客户关系管理(PR M)的必备要素之一.实时合作伙伴反馈采用调研的形式通过在线、电话、交互式语音应答(IVR)、无线通讯等手段搜集来自终端用户和合作伙伴的实时反馈.此类调研提供针对终端用户及合作伙伴的看法、意向和感受的可行性智能,使企业精益求精: 相似文献