Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu

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.     

Factors influencing feature usage in work-related communication

Two studies are presented. The first aimed to identify possible barriers to the uptake and use of commonly available telephony features and to determine whether greater knowledge of features/access codes and availability of user manuals could increase feature usage under certain conditions. Results showed that feature-usage patterns were not affected by any of the manipulations, but that they were determined by specific job demands. Using Constantine and Lockwood's (1999) conceptualization of user roles, a method to support feature bundling decisions for specific target markets was developed and tested in the second study. The method - Strategic User Needs Analysis (SUNA) - was shown to yield a useful balance between high- and low-level information about selected roles. SUNA provided sufficient information to distinguish between PDA feature usage patterns of two similar target user groups as well as to suggest additional features each of the two target groups would find useful. The development of SUNA and observational findings of actual PDA usage are reported.     

Minimum effort factor approach for sensor-based control of a four-joint 6-dof redundant manipulator

A sensor-driven control model and a minimum effort control algorithm in terms of time and energy expended during the execution of a movement strategy are described and validated for a multijointed cooperating robotic manipulator. Considering smooth, human-like (anthropomorphic) movements, using joint motion profiles achievable in real time as well as sensory information from all joints, and evaluating the total work expended by each manipulator joint during the execution of a movement strategy, a minimum effort motion trajectory is synthesized to precisely and efficiently position the robotic arm end-effector. This sensor-based approach significantly reduces the computational requirements for such cooperative motion. The minimum effort control algorithm generates several human-like arm movement strategies and selects the best strategy on the basis of expendable effort. The algorithm has an inherent basis to deal with obstacles in an efficient way. Detailed examples are described from the simulation studies. © 1994 John Wiley & Sons, Inc.     

Application of Differential Evolution for Irrigation Planning: An Indian Case Study

The present paper demonstrates the applicability of population based search optimization method, namely, Differential Evolution (DE) to a case study of Mahi Bajaj Sagar Project (MBSP), India. Ten different strategies of DE are employed to assess the ability of DE for solving higher dimensional problems as an alternative methodology for irrigation planning. The parameters considered in DE are population size, crossover constant and weighting factor. Linear Programming (LP) is utilized as a comparative approach to assess the ability of DE. Comparison of results of LP and the 10 DE strategies for the given parameters indicated that both the results are comparable even for high dimensional problems. Extensive sensitivity analysis studies, performed for 3,600 combinations of above parameters for the 10 DE strategies suggested that DE/rand-to-best/1/bin strategy is the best strategy giving maximum benefits taking minimum CPU time. It is concluded that DE can be utilized for efficient planning of any irrigation system with suitable modifications.     

Surface Hardening of High-Strength Low Alloy Steels (HSLA) Dual-Phase Steels by Ball Burnishing Using Factorial Design

Burnishing is used increasingly as a finishing operation which gives additional advantages such as increased hardness, fatigue strength, and wear resistance. Experimental work based on 3⁴ factorial design was carried out to establish the effects of ball burnishing parameters on the surface hardness of high-strength low alloy steels (HSLA) dual-phase (DP) steel specimens. Statistical analysis of the results shows that the speed, feed, lubricant and ball diameter have significant effect on surface hardness.     

‘More power’ call sparks soft compact research

The 42-volt electrical system is to be introduced in automobiles to provide the extra power needed for various electromagnetic devices. This offers an opportunity for insulated iron powder to replace lamination steel in a variety of motors. Brushless motor design can probably benefit most from insulated iron powder compacts because of the design simplicity of powder metal parts and three-dimensional flux capability that is most beneficial in rotating devices says Sim Narasimhan…     

A combination of differential equations and convolution in understanding the spread of an epidemic

Nonlinear dynamical method of projecting the transmission of an epidemic is accurate if the input parameters and initial value variables are reliable. Here, such a model is proposed for predicting an epidemic. A method to supplement two variables and two parameters for this proposed model is demonstrated through a robust statistical approach. The method described here worked well in case of three continuous distributions. Model predictions could be lower estimates due to under-reporting of disease cases. Anad hoc procedure with a technical note is provided in the appendix An earlier version of this paper was presented at the annual conference of the Indian Society for Mathematical Modelling & Computer Simulation, Bangalore, November 14–15, 2002     

The MITRE E3 family of models structure and results

A family of energy/economic/environmental (E³) models is presented as a mechanism for analysing national policy issues. The family consists of discrete models which are designed to be run in an integrated manner. The outputs of certain models provide the inputs to the next. This structure allows the analyst to readily incorporate an understanding of regional factors such as local energy prices, concerns over air quality, water availability, or attitudes towards construction of new energy facilities, into national assessments of energy policies. This paper reviews the analytic framework within which energy policy issues are currently addressed. The initial family of E³ models is described with the emphasis on the data linkages and feedback which are provided when these models are run sequentially. The ongoing MITRE research programme with the E³ family of models is presented and plans and opportunities for future work are outlined.     

Deformation twinning during impact – numerical calculations using a constitutive theory based on multiple natural configurations

When materials such as Armco iron, titanium etc., are subject to impact it can be observed that two basic inelastic processes take place – slip and deformation twinning. Of these processes, inelasticity associated with the slip mechanism has received considerable attention. For example, Zerilli and Armstrong (1988) modeled the Taylor impact test for a variety of materials using traditional plasticity theories. They found that there was a significant discrepancy between the theoretical and experimental results for some materials. They attributed this to the fact that they had neglected deformation twinning in their models. Subsequent metallurgical studies have indicated that twinning had indeed taken place in these materials. In this study, we focus on the inelastic processes solely due to deformation twinning (i.e., neglecting slip). We model these processes using the approach of Rajagopal and Srinivasa (1995, 1997) and Srinivasa et al., (1997), the results of which are briefly summarized in section 2.1. In order to better understand the twinning process, we study the Taylor impact test for a 2-D slab under the assumption that only deformation twinning takes place and solve the governing dynamical equations by using the finite element method. The results show that the twinned zone is concentrated near the point of impact and indeed it contributes significantly to the overall permanent shape change due to the impact.