Ab initio simulations of liquid systems: Concentration dependence of the electric conductivity of NaSn alloys

Liquid NaSn alloys in five different compositions (20, 40, 50, 57 and 80% sodium) are studied using density functional calculations combined with molecular dynamics(Car-Parrinello method). The frequency-dependent electric conductivities for the systems are calculated by means of the Kubo-Greenwood formula. The extrapolated DC conductivities are in good agreement with the experimental data and reproduce the strong variation with the concentration. The maximum of conductivity is obtained, in agreement with experiment, near the equimolar composition. The strong variation of conductivity, ranging from almost semiconducting up to metallic behaviour, can be understood by an analysis of the densities-of-states.Comment: LaTex 6 pages and 2 figures, to appear in J.Phys. Cond. Ma

Detecting Memory-Boundedness with Hardware Performance Counters

Modern processors incorporate several performance monitoring units, which can be used to count events that occur within different components of the processor. They provide access to information on hardware resource usage and can therefore be used to detect performance bottlenecks. Thus, many performance measurement tools are able to record them complementary to information about the application behavior. However, the exact meaning of the supported hardware events is often incomprehensible due to the system complexity and partially lacking or even inaccurate documentation. For most events it is also not documented whether a certain rate indicates a saturated resource usage. Therefore, it is usually diffcult to draw conclusions on the performance impact from the observed event rates. In this paper, we evaluate whether hardware performance counters can be used to measure the capacity utilization within the memory hierarchy and estimate the impact of memory accesses on the achieved performance. The presented approach is based on a small selection of micro-benchmarks that constantly stress individual components in the memory subsystem, ranging from caches to main memory. These workloads are used to identify hardware performance counters that provide good estimates for the utilization of individual components in the memory hierarchy. However, since access latencies can be interleaved with computing instructions, a high utilization of the memory hierarchy does not necessarily result in low performance. We therefore also investigate which stall counters provide good estimates for the number of cycles that are actually spent waiting for the memory hierarchy

Extending the Functionality of Score-P through Plugins: Interfaces and Use Cases

Performance measurement and runtime tuning tools are both vital in the HPC software ecosystem and use similar techniques: the analyzed application is interrupted at specific events and information on the current system state is gathered to be either recorded or used for tuning. One of the established performance measurement tools is Score-P. It supports numerous HPC platforms and parallel programming paradigms. To extend Score-P with support for different back-ends, create a common framework for measurement and tuning of HPC applications, and to enable the re-use of common software components such as implemented instrumentation techniques, this paper makes the following contributions: (I) We describe the Score-P metric plugin interface, which enables programmers to augment the event stream with metric data from supplementary data sources that are otherwise not accessible for Score-P. (II) We introduce the flexible Score-P substrate plugin interface that can be used for custom processing of the event stream according to the specific requirements of either measurement, analysis, or runtime tuning tasks. (III) We provide examples for both interfaces that extend Score-P’s functionality for monitoring and tuning purposes

Charge- And Angle-correlated Inelasticities In Collisions Of Bare Fast Carbon Ions With Neon

We have studied the detailed energy balance in collisions of 10-MeV C6+ ions with Ne. In these collisions, the Ne is multiply ionized and the C ion may emerge as either C6+ or C5+. Projectile energy loss and scattering angle for a given carbon-ion charge state were determined in a high-resolution magnetic spectrograph and were measured in coincidence with the formation of a given Ne recoil-ion charge state. The amount of energy transferred to the continuum electrons exceeds, by far, the sum of the values of the ionization potentials. © 1988 The American Physical Society

Plasmon Lifetime in K: A Case Study of Correlated Electrons in Solids Amenable to Ab Initio Theory

On the basis of a new ab initio, all-electron response scheme, formulated within time-dependent density-functional theory, we solve the puzzle posed by the anomalous dispersion of the plasmon linewidth in K. The key damping mechanism is shown to be decay into particle-hole pairs involving empty states of d-symmetry. While the effect of many-particle correlations is small, the correlations built into the "final-state" -d-bands play an important, and novel, role ---which is related to the phase-space complexity associated with these flat bands. Our case study of plasmon lifetime in K illustrates the importance of ab initio paradigms for the study of excitations in correlated-electron systems.Comment: 12 pages, 4 figures, for html browsing see http://web.utk.edu/~weik

The ‘Wickedness’ of Governing Land Subsidence: Policy Perspectives From Urban Southeast Asia

Drawing on Jakarta, Metro Manila and Singapore as case studies, we explore the paradox of slow political action in addressing subsiding land, particularly along high-density urban coastlines with empirical insights from coastal geography, geodesy analysis, geology, and urban planning. In framing land subsidence as a classic ‘wicked’ policy problem, and also as a hybrid geological and anthropogenic phenomenon that is unevenly experienced across urban contexts, the paper uses a three-step analysis. First, satellite-derived InSAR maps are integrated with Sentinel-1A data in order to reveal the socio-temporal variability of subsidence rates which in turn pose challenges in uniformly applying regulatory action. Second, a multi-sectoral mapping of diverse policies and practices spanning urban water supply, groundwater extraction, land use zoning, building codes, tenurial security, and land reclamation reveal the extent to which the broader coastal governance landscape remains fragmented and incongruous, particularly in arresting a multi-dimensional phenomenon such as subsidence. Finally, in reference to distinct coastal identities of each city–the ‘Sinking Capital’ (Jakarta), ‘Fortress Singapore’, and the ‘Disaster Capital’ (Manila) the paper illustrates how land subsidence is portrayed across the three metropolises in markedly similar ways: as a reversible, quasi-natural, and/or a highly individualized problem

Dynamics of Excited Electrons in Copper: Role of Auger Electrons

Within a theoretical model based on the Boltzmann equation, we analyze in detail the structure of the unusual peak recently observed in the relaxation time in Cu. In particular, we discuss the role of Auger electrons in the electron dynamics and its dependence on the d-hole lifetime, the optical transition matrix elements and the laser pulse duration. We find that the Auger contribution to the distribution is very sensitive to both the d-hole lifetime tau_h and the laser pulse duration tau_l and can be expressed as a monotonic function of tau_l/tau_h. We have found that for a given tau_h, the Auger contribution is significantly smaller for a short pulse duration than for a longer one. We show that the relaxation time at the peak depends linearly on the d-hole lifetime, but interestingly not on the amount of Auger electrons generated. We provide a simple expression for the relaxation time of excited electrons which shows that its shape can be understood by a phase space argument and its amplitude is governed by the d-hole lifetime. We also find that the height of the peak depends on both the ratio of the optical transition matrix elements R=|M_{d \to sp}|^2/|M_{sp \to sp}|^2 and the laser pulse duration. Assuming a reasonable value for the ratio, namely R = 2, and a d-hole lifetime of tau_h=35 fs, we obtain for the calculated height of the peak Delta tau_{th}=14 fs, in fair agreement with Delta tau_{exp} \approx 17 fs measured for polycrystalline Cu.Comment: 6 pages, 6 figure

Sea ice extent and seasonality for the Early Pliocene northern Weddell Sea

Growth increment analysis coupled with stable isotopic data (δ18O/δ13C) from Early Pliocene (ca 4.7 Ma) Austrochlamys anderssoni from shallow marine sediments of the Cockburn Island Formation, northern Antarctic Peninsula, suggest these bivalves grew through much of the year, even during the coldest parts of winter recorded in the shells. The high frequency fluctuation in growth increment width of A. anderssoni appears to reflect periodic, but year-round, agitation of the water column enhancing benthic food supply from organic detritus. This suggests that Austrochlamys favoured waters that were largely sea ice free. Our data support interpretation of the Cockburn Island Formation as an interglacial marine deposit and the previous hypothesis that Austrochlamys retreated from the Antarctic as sea ice extent expanded, this transition occurring during climate cooling in the Late Pliocene