Modelling the nano-scale phenomena in condensed matter physics via computer-based numerical simulations

A review of the atomistic modelling of the behaviour of nano-scale structures and processes via molecular dynamics (MD) simulation method of a canonical ensemble is presented. Three areas of application in condensed matter physics are considered. We focus on the adhesive and indentation properties of the solid surfaces in nano-contacts, the nucleation and growth of nano-phase metallic and semi-conducting atomic and molecular films on supporting substrates, and the nano- and multi-scale crack propagation properties of metallic lattices. A set of simulations selected from these fields are discussed, together with a brief introduction to the methodology of the MD simulation. The pertinent inter-atomic potentials that model the energetics of the metallic and semi-conducting systems are also given.

Minimizing total weighted completion time in a proportionate flow shop

We study the special case of the m machine flow shop problem in which the processing time of each operation of job j is equal to pj; this variant of the flow shop problem is known as the proportionate flow shop problem. We show that for any number of machines and for any regular performance criterion we can restrict our search for an optimal schedule to permutation schedules. Moreover, we show that the problem of minimizing total weighted completion time is solvable in O(n2) time. © 1998 John Wiley & Sons, Ltd.

Two-machine shop scheduling: Compromise between flexibility and makespan value

In this paper, we consider the problem of providing flexibility to solutions of two-machine shop scheduling problems. We use the concept of group-scheduling to characterize a whole set of schedules so as to provide more choice to the decision-maker at any decision point. A group-schedule is a sequence of groups of permutable operations defined on each machine where each group is such that any permutation of the operations inside the group leads to a feasible schedule. Flexibility of a solution and its makespan are often conflicting, thus we search for a compromise between a low number of groups and a small value of makespan. We resolve the complexity status of the relevant problems for the two-machine flow shop, job shop and open shop. A number of approximation algorithms are developed and their worst-case performance is analyzed. For the flow shop, an effective heuristic algorithm is proposed and the results of computational experiments are reported.

Two-machine flow shop scheduling problems with no-wait jobs

In this paper we provide a fairly complete complexity classification of various versions of the two-machine permutation flow shop scheduling problem to minimize the makespan in which some of the jobs have to be processed with no-wait in process. For some version, we offer a fully polynomial-time approximation scheme and a 43-approximation algorithm.