Computational predictions of energy materials using density functional theory

In the search for new functional materials, quantum mechanics is an exciting starting point. The fundamental laws that govern the behaviour of electrons have the possibility, at the other end of the scale, to predict the performance of a material for a targeted application. In some cases, this is achievable using density functional theory (DFT). In this Review, we highlight DFT studies predicting energy-related materials that were subsequently confirmed experimentally. The attributes and limitations of DFT for the computational design of materials for lithium-ion batteries, hydrogen production and storage materials, superconductors, photovoltaics and thermoelectric materials are discussed. In the future, we expect that the accuracy of DFT-based methods will continue to improve and that growth in computing power will enable millions of materials to be virtually screened for specific applications. Thus, these examples represent a first glimpse of what may become a routine and integral step in materials discovery

Experimental studies on the tripping behavior of narrow T-stiffened flat plates subjected to hydrostatic pressure and underwater shock

An experimental investigation was conducted to determine the static and dynamic responses of a specific stiffened flat plate design. The air-backed rectangular flat plates of 6061-T6 aluminum with an externally machined longitudinal narrow-flanged T-stiffener and clamped boundary conditions were subjected to static loading by water hydropump pressure and shock loading from an eight pound TNT charge detonated underwater. The dynamic test plate was instrumented to measure transient strains and free field pressure. The static test plate was instrumented to measure transient strains, plate deflection, and pressure. Emphasis was placed upon forcing static and dynamic stiffener tripping, obtaining relevant strain and pressure data, and studying the associated plate-stiffener behavior

Vertical variation of optical properties of mixed Asian dust/pollution plumes according to pathway of air mass transport over East Asia

© Author(s) 2015. This is an Open Access article made available under the terms of the Creative Commons Attribution License 3.0 https://creativecommons.org/licenses/by/3.0/We use five years (2009-2013) of multiwavelength Raman lidar measurements at Gwangju, South Korea (35.10° N, 126.53° E) for the identification of changes of optical properties of East Asian dust depending on its transport path over China. Profiles of backscatter and extinction coefficients, lidar ratios, and backscatter-related Ångström exponents (wavelength pair 355/532 nm) were measured at Gwangju. Linear particle depolarization ratios were used to identify East Asian dust layers. We used backward trajectory modeling to identify the pathway and the vertical position of dust-laden air masses over China during long-range transport. Most cases of Asian dust events can be described by the emission of dust in desert areas and subsequent transport over highly polluted regions of China. The Asian dust plumes could be categorized into two classes according to the height above ground at which these plumes were transported: (case I) the dust layers passed over China at high altitude levels (> 3 km) until arrival over Gwangju, and (case II) the Asian dust layers were transported near the surface and within the lower troposphere (< 3 km) over industrialized areas before they arrived over Gwangju. We find that the optical characteristics of these mixed Asian dust layers over Gwangju differ depending on their vertical position above ground over China and the change of height above ground during transport. The mean linear particle depolarization ratio was 0.21 ± 0.06 (at 532 nm), the mean lidar ratios were 52 ± 7 sr at 355 nm and 53 ± 8 sr at 532 nm, and the mean Ångström exponent was 0.74 ± 0.31 for case I. In contrast, plumes transported at lower altitudes (case II) showed low depolarization ratios (0.13 ± 0.04 at 532 nm), and higher lidar ratio (63 ± 9 sr at 355 nm and 62 ± 8 sr at 532 nm) and Ångström exponents (0.98 ± 0.51). These numbers show that the optical characteristics of mixed Asian plumes are more similar to optical characteristics of urban pollution. We find a decrease of the linear depolarization ratio of the mixed dust/pollution plume depending on transport time if the pollution layer traveled over China at low heights, i.e., below approximately 3 km above ground. In contrast, we do not find such a trend if the dust plumes traveled at heights above 3 km over China. We need a longer time series of lidar measurements in order to determine in a quantitative way the change of optical properties of dust with transport time.Peer reviewedFinal Published versio

Optimal design and use of retry in fault tolerant real-time computer systems

A new method to determin an optimal retry policy and for use in retry of fault characterization is presented. An optimal retry policy for a given fault characteristic, which determines the maximum allowable retry durations to minimize the total task completion time was derived. The combined fault characterization and retry decision, in which the characteristics of fault are estimated simultaneously with the determination of the optimal retry policy were carried out. Two solution approaches were developed, one based on the point estimation and the other on the Bayes sequential decision. The maximum likelihood estimators are used for the first approach, and the backward induction for testing hypotheses in the second approach. Numerical examples in which all the durations associated with faults have monotone hazard functions, e.g., exponential, Weibull and gamma distributions are presented. These are standard distributions commonly used for modeling analysis and faults

Integrated analysis of error detection and recovery

An integrated modeling and analysis of error detection and recovery is presented. When fault latency and/or error latency exist, the system may suffer from multiple faults or error propagations which seriously deteriorate the fault-tolerant capability. Several detection models that enable analysis of the effect of detection mechanisms on the subsequent error handling operations and the overall system reliability were developed. Following detection of the faulty unit and reconfiguration of the system, the contaminated processes or tasks have to be recovered. The strategies of error recovery employed depend on the detection mechanisms and the available redundancy. Several recovery methods including the rollback recovery are considered. The recovery overhead is evaluated as an index of the capabilities of the detection and reconfiguration mechanisms