Optimal allocation and processing time decisions on non-identical parallel CNC machines: ϵ-constraint approach

When the processing times of jobs are controllable, selected processing times affect both the manufacturing cost and the scheduling performance. A well known example for such a case that this paper specifically deals with is the turning operation on a CNC machine. Manufacturing cost of a turning operation is a nonlinear convex function of its processing time. In this paper, we deal with making optimal machine-job assignments and processing time decisions so as to minimize total manufacturing cost while the makespan being upper bounded by a known value, denoted as ?-constraint approach for a bicriteria problem. We then give optimality properties for the resulting single criterion problem. We provide alternative methods to compute cost lower bounds for partial schedules, which are used in developing an exact (branch and bound) algorithm. For the cases where the exact algorithm is not efficient in terms of computation time, we present a recovering beam search algorithm equipped with an improvement search procedure. In order to find improving search directions, the improvement search algorithm uses the proposed cost bounding properties. Computational results show that our lower bounding methods in branch and bound algorithm achieve a significant reduction in the search tree size that we need to traverse. Also, our recovering beam search and improvement search heuristics achieve solutions within 1% of the optimum on the average while they spent much less computational effort than the exact algorithm.     

Using stochastic optimization to determine threshold values for the control of unreliable manufacturing systems

A manufacturing system with two tandem machines producing one part type is considered in this work. The machines are unreliable, each having two states, up and down. Both surplus controls and Kanban systems are considered. Algorithms for approximating the optimal threshold values are developed. First, perturbation analysis techniques are employed to obtain consistent gradient estimates based on a single simulation run. Then, iterative algorithms of the stochastic optimization type are constructed. It is shown that the algorithms converge to the optimal threshold values in an appropriate sense. Numerical examples are provided to demonstrate the performance of the algorithms.The research of these authors was supported in part by grants from URIF, MRCO, National Science Foundation, and Wayne State University. The authors would like to thank Dr. X. R. Cao, Digital Equipment Corporation, for the valuable initial discussion and Dr. X. Y. Zhou, University of Toronto, for his helpful comments.     

Robust simulation with a base environmental scenario

In the design of a system, the comparison of possible solutions using simulation is generally performed with fixed environmental conditions. In practice, however, unexpected changes can occur for example in the part mix of a manufacturing facility or in the customer demand. Such changes, which are considered as modifications in environmental factors, can impact the system response. As a consequence, a solution A that is better than B for a given environment, can yield poorer performance than B for another environment. Therefore, we are interested in robust simulation studies, which aim at taking into account several possible environments. In methods based on Taguchi’s principles, no distinction is made between these environments in the robustness computation. In the suggested heuristic approach, we focus on problems where a particular environment is expected when the system will be in operation (the others being unexpected environments). This particular environment will be considered in the study as a “base environmental scenario”. The robustness of a solution of the design problem is computed as an approximate measure of what will be saved or lost if the environment becomes the unexpected. Reference curves are suggested to allow these solutions to be empirically compared in accordance with the decision-maker’s requirements. A simplified example is provided. The results are different from those obtained using a signal to noise ratio, which is typically used in Taguchian approaches.     

The virtual mass of an oblate-ellipsoidal bubble

A semi-analytical solution is presented for the virtual mass coefficient of an oblate-ellipsoidal bubble rising in liquid. The solution was found to be a function of Weber number. The present solution compared well with the numerical solution of the lattice Boltzmann method and the analytical solutions of other investigators.     

Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling,molecular docking, 3D-QSAR model and binding free energy calculation studies

B-Raf kinase has been identified as an important target in recent cancer treatment. In order to discover structurally diverse and novel B-Raf inhibitors (BRIs), a virtual screening of BRIs against ZINC database was performed by using a combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy (ΔG_bind) calculation studies in this work. After the virtual screening, six promising hit compounds were obtained, which were then tested for inhibitory activities of A375 cell lines. In the result, five hit compounds show good biological activities (IC₅₀ < 50 μM). The present method of virtual screening can be applied to find structurally diverse inhibitors, and the obtained five structurally diverse compounds are expected to develop novel BRIs.     

Discovery of potential inhibitor against human acetylcholinesterase: a molecular docking and molecular dynamics investigation

Alzheimer’s disease (AD) is a progressive neurodegenerative disease of central nervous system among elderly people. Human acetylcholinesterase (hAChE), an important enzyme in neuronal signaling, is responsible for the degradation of acetylcholine which in turn prevents the post synaptic signal transmissions. hAChE has been an attractive target of drug discovery for the search of therapeutics against AD. In the recent past hAChE has become hot target for the investigation of new potential therapeutics. We performed virtual screening of entire database against hAChE. Further, the extra precision molecular docking was carried out to refine the docking results and the best complex was passed for molecular dynamics simulations in order of understanding the hAChE dynamics and its behavior in complex with the ligand which corroborate the outcomes of virtual screening. This also provides binding free energy data that establishes the ligands efficiency for inhibiting hAChE. The computational findings discussed in this paper provide initial information of inhibitory effects of ligand, (drugbank entry DB00983), over hAChE.     

Understanding Molecular Dynamics with Stochastic Processes via Real or Virtual Dynamics

Molecular dynamics with the stochastic process provides a convenient way to compute structural and thermodynamic properties of chemical, biological, and materials systems. It is demonstrated that the virtual dynamics case that we proposed for the Langevin equation[J. Chem. Phys. 147 , 184104 (2017)] in principle exists in other types of stochastic thermostats as well. The recommended "middle" scheme[J. Chem. Phys. 147 , 034109 (2017)] of the Andersen thermostat is investigated as an example. As shown by both analytic and numerical results, while the real and virtual dynamics cases approach the same plateau of the characteristic correlation time in the high collision frequency limit, the accuracy and efficiency of sampling are relatively insensitive to the value of the collision frequency in a broad range. After we compare the behaviors of the Andersen thermostat to those of Langevin dynamics, a heuristic schematic representation is proposed for understanding efficient stochastic thermostatting processes with molecular dynamics.     

弹性力学问题的虚边界元-配点法

本文提出虚边界方法,建立了离散化虚边界元-配点法,给出了离散化求系数的积分解析式。本文方法完全避免了边界奇异积分及其复杂耗时的运算,成功地提高了普通边界元法(以下简称边界元法)中边界附近区域内包括边界上解的精度,保留了边界元法的优点并扬弃了其弱点。边界元间接法是本文方法中的一个特例。数值算例表明,程序可靠,节省机时,计算精度较高。     

On the Logical Status of the Virtual Work Law

The law of virtual work (VWL) is probably the first law in the history of mechanics; it is previous to the one on the lever, though not completely distinct from it. Here I will discuss the logical status of VWL, that is whether it is an autonomous principle or a theorem of some sort of mechanics. The problem is complicated by the fact that up to now no universally recognised expression has been accepted for it. From this article the problematical nature of VWL demonstrability is quite clear when the mechanics does not characterise completely the constraints. Italian schools in the XVIII century, even if we do not take Lagrange into consideration, had an important role, both in the development of VWL and in the discussion of its role.     

Variance of the virtual displacement

We show that the affine structure of the 3-dimensional space is deeply enmeshed with the static laws expression. The relevance of tensorial rules for calculus in mechanics is thus enhanced. The virtual work principle is stated precisely but a little twist is given to the usual statements: the tensorial nature of the so-called virtual displacement vector is asserted to be covariant. To cite this article: C. Vallée et al., C. R. Mecanique 332 (2004).

Résumé

Nous montrons que la structure affine de l'espace tridimensionnel est fortement imbriquée avec l'expression des lois de la statique. La pertinence de l'application des règles du calcul tensoriel à la mécanique est ainsi renforcée. Le principe des travaux virtuels est établi précisément avec une seule entorse aux exposés classiques : la nature tensorielle de l'habituel vecteur déplacement virtuel est affirmée covariante. Pour citer cet article : C. Vallée et al., C. R. Mecanique 332 (2004).