|Commenced in January 1999 || Frequency: Monthly || Edition: International|| Paper Count: 9 |
Mathematical, Computational, Physical, Electrical and Computer Engineering
Coding Considerations for Standalone Molecular Dynamics Simulations of Atomistic Structures
The laws of Newtonian mechanics allow ab-initio
molecular dynamics to model and simulate particle trajectories in
material science by defining a differentiable potential function. This
paper discusses some considerations for the coding of ab-initio
programs for simulation on a standalone computer and illustrates
the approach by C language codes in the context of embedded
metallic atoms in the face-centred cubic structure. The algorithms use
velocity-time integration to determine particle parameter evolution
for up to several thousands of particles in a thermodynamical
ensemble. Such functions are reusable and can be placed in a
redistributable header library file. While there are both commercial
and free packages available, their heuristic nature prevents dissection.
In addition, developing own codes has the obvious advantage of
teaching techniques applicable to new problems.
Construction and Analysis of Samurai Sudoku
Samurai Sudoku consists of five Sudoku square designs each having nine treatments in each row (column or sub-block) only once such the five Sudoku designs overlaps. Two or more Samurai designs can be joint together to give an extended Samurai design. In addition, two Samurai designs, each containing five Sudoku square designs, are mutually orthogonal (Graeco). If we superimpose two Samurai designs and obtained a pair of Latin and Greek letters in each row (column or sub-block) of the five Sudoku designs only once, then we have Graeco Samurai design. In this paper, simple method of constructing Samurai designs and mutually orthogonal Samurai design are proposed. In addition, linear models and methods of data analysis for the designs are proposed.
Estimation of the Road Traffic Emissions and Dispersion in the Developing Countries Conditions
We present in this work our model of road traffic
emissions (line sources) and dispersion of these emissions, named
DISPOLSPEM (Dispersion of Poly Sources and Pollutants Emission
Model). In its emission part, this model was designed to keep the
consistent bottom-up and top-down approaches. It also allows to
generate emission inventories from reduced input parameters being
adapted to existing conditions in Morocco and in the other developing
countries. While several simplifications are made, all the performance
of the model results are kept. A further important advantage of
the model is that it allows the uncertainty calculation and emission
rate uncertainty according to each of the input parameters. In the
dispersion part of the model, an improved line source model has
been developed, implemented and tested against a reference solution.
It provides improvement in accuracy over previous formulas of line
source Gaussian plume model, without being too demanding in terms
of computational resources. In the case study presented here, the
biggest errors were associated with the ends of line source sections;
these errors will be canceled by adjacent sections of line sources
during the simulation of a road network. In cases where the wind
is parallel to the source line, the use of the combination discretized
source and analytical line source formulas minimizes remarkably the
error. Because this combination is applied only for a small number
of wind directions, it should not excessively increase the calculation
An Accurate Method for Phylogeny Tree Reconstruction Based on a Modified Wild Dog Algorithm
This study solves a phylogeny problem by using modified wild dog pack optimization. The least squares error is considered as a cost function that needs to be minimized. Therefore, in each iteration, new distance matrices based on the constructed trees are calculated and used to select the alpha dog. To test the suggested algorithm, ten homologous genes are selected and collected from National Center for Biotechnology Information (NCBI) databanks (i.e., 16S, 18S, 28S, Cox 1, ITS1, ITS2, ETS, ATPB, Hsp90, and STN). The data are divided into three categories: 50 taxa, 100 taxa and 500 taxa. The empirical results show that the proposed algorithm is more reliable and accurate than other implemented methods.
Multi-Objective Random Drift Particle Swarm Optimization Algorithm Based on RDPSO and Crowding Distance Sorting
In this paper, we presented a Multi-Objective Random
Drift Particle Swarm Optimization algorithm (MORDPSO-CD) based
on RDPSO and crowding distance sorting to improve the convergence
and distribution with less computation cost. MORDPSO-CD makes
the most of RDPSO to approach the true Pareto optimal solutions
fast. We adopt the crowding distance sorting technique to update and
maintain the archived optimal solutions. Introducing the crowding
distance technique into MORDPSO can make the leader particles
find the true Pareto solution ultimately. The simulation results reveal
that the proposed algorithm has better convergence and distribution.
Combined Analysis of Sudoku Square Designs with Same Treatments
Several experiments are conducted at different environments such as locations or periods (seasons) with identical treatments to each experiment purposely to study the interaction between the treatments and environments or between the treatments and periods (seasons). The commonly used designs of experiments for this purpose are randomized block design, Latin square design, balanced incomplete block design, Youden design, and one or more factor designs. The interest is to carry out a combined analysis of the data from these multi-environment experiments, instead of analyzing each experiment separately. This paper proposed combined analysis of experiments conducted via Sudoku square design of odd order with same experimental treatments.
Unconventional Calculus Spreadsheet Functions
The spreadsheet engine is exploited via a non-conventional mechanism to enable novel worksheet solver functions for computational calculus. The solver functions bypass inherent restrictions on built-in math and user defined functions by taking variable formulas as a new type of argument while retaining purity and recursion properties. The enabling mechanism permits integration of numerical algorithms into worksheet functions for solving virtually any computational problem that can be modelled by formulas and variables. Several examples are presented for computing integrals, derivatives, and systems of deferential-algebraic equations. Incorporation of the worksheet solver functions with the ubiquitous spreadsheet extend the utility of the latter as a powerful tool for computational mathematics.
Hamiltonian Related Properties with and without Faults of the Dual-Cube Interconnection Network and Their Variations
In this paper, a thorough review about dual-cubes, DCn,
the related studies and their variations are given. DCn was introduced
to be a network which retains the pleasing properties of hypercube Qn
but has a much smaller diameter. In fact, it is so constructed that the
number of vertices of DCn is equal to the number of vertices of Q2n
+1. However, each vertex in DCn is adjacent to n + 1 neighbors and
so DCn has (n + 1) × 2^2n edges in total, which is roughly half the
number of edges of Q2n+1. In addition, the diameter of any DCn is 2n
+2, which is of the same order of that of Q2n+1. For selfcompleteness,
basic definitions, construction rules and symbols are
provided. We chronicle the results, where eleven significant theorems
are presented, and include some open problems at the end.
Optimization Model for Identification of Assembly Alternatives of Large-Scale, Make-to-Order Products
Assembling large-scale products, such as airplanes, locomotives, or wind turbines, involves frequent process interruptions induced by e.g. delayed material deliveries or missing availability of resources. This leads to a negative impact on the logistical performance of a producer of xxl-products. In industrial practice, in case of interruptions, the identification, evaluation and eventually the selection of an alternative order of assembly activities (‘assembly alternative’) leads to an enormous challenge, especially if an optimized logistical decision should be reached. Therefore, in this paper, an innovative, optimization model for the identification of assembly alternatives that addresses the given problem is presented. It describes make-to-order, large-scale product assembly processes as a resource constrained project scheduling (RCPS) problem which follows given restrictions in practice. For the evaluation of the assembly alternative, a cost-based definition of the logistical objectives (delivery reliability, inventory, make-span and workload) is presented.