Computational Methods in Sciences and Engineering 2003: Proceedings of the International Conference (Iccmse 2003)

TABLE OF CONTENTS......Page 10
PREFACE FOR THE PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES GREECE AND ENGINEERING (ICCMSE 2003), SEPTEMBER 12-16, KASTORIA,......Page 8
2. Two-Corrections models to solve the equations systems......Page 24
3. Conclusions......Page 25
References......Page 26
The governing equations are......Page 27
Numerical Analysis......Page 30
3. Z. Akdogan, M. Demirci and O. Sh. Mukhtarov, Sturm-Liouville Problems with Eigendependent Boundary and Transmissions Conditions......Page 32
References......Page 34
1. Guidelines......Page 35
Main Step......Page 36
References......Page 37
5. M. Al-Refai, Convergence Analysis for an Iterative Method for Solving Nonlinear Parabolic Systems......Page 38
1. Introduction......Page 39
2. Analytical Results......Page 40
3. Discretization and Non-uniform Mesh......Page 41
5. Numerical Results......Page 42
References......Page 43
7. Z. A. Anastassi and T. E. Simos, A Family of Optimized Runge-Kutta Methods with Five Stages and Fourth Order for IVPS with Oscillating Solutions......Page 45
8. R Anguelov, P. Kama and JM-S Lubuma, Nonstandard Theta-Method and Related Discrete Schemes for the Reaction-Dirusion Equation......Page 47
References......Page 50
9. O. Angulo, J. C. Lopez-Marcos, Numerical Integration of a Size-Structured Cell Population Model in an Environment of Changing Substrate Concentration......Page 51
References......Page 55
10. I. Arregui, J. J. Cendan and C. Vazquez, A Duality Method for the Compressible Reynolds Equation. Application to Simulation of Readwrite Process in Magnetic Storage Devices......Page 56
11. F. Balibrea, J. L. C. Guirao and F. L. Pelayo, An Environment for Computing Topological Entropy for Skew-Product Transformations......Page 61
The scenario:......Page 62
An interesting application:......Page 66
References......Page 67
1.1. Hidden Markov Models......Page 70
2.1. Labeled Sequences......Page 71
2.2. Discriminative training......Page 72
2.3 Maximum Likelihood (ML) gradient descent method for labeled sequences......Page 73
3.1. Data sets and topology of the model......Page 74
3.2. Results and Discussion......Page 76
References......Page 78
1. Introduction......Page 79
2.1. More Accurate Speeds of Propagation......Page 80
3. Numerical Tests......Page 81
References......Page 82
14. S. C. Basak, B. D. Cute and D. Mills, Predicting Toxicity of Chemicals Using Chemodescriptors and Biodescriptors: an Integrated Approach......Page 83
15. S. R. Basu, Measuring Economic Well-Being and Governance: Some Methodological Tools......Page 84
1. Introduction......Page 89
2. Methodology......Page 90
3. Implementation and Results......Page 91
4. Supplementary Information by Statistical Analysis......Page 94
Acknowledgments......Page 95
References......Page 96
1. Introduction......Page 97
2. Methodology......Page 98
3. Implementation......Page 99
5. Conclusions......Page 101
References......Page 102
Appendix......Page 103
1. Introduction......Page 106
2. New Theoretical Developments......Page 107
3. An Algorithm of Approximation......Page 108
References......Page 109
19. Di. Belkif Unique Virtues of the Pad& Approximant for High-Resolution Signal Processing......Page 110
20. Y. S. Boutalis and O. I. Kosmidou, A Feedback Linearization Technique by Using Neural Networks: Application to Bioprocess control......Page 113
REFERENCES......Page 114
1. Introduction......Page 116
2. A-stable implicit Runge-Kutta methods......Page 118
3. A-stable general linear methods with the IRKS property......Page 120
22. E. Camouzis, R. Devault, G. Papaschinopoulos, Period Two Trichotomy on......Page 121
1. Introduction......Page 122
3. Example of (E-G) method : application and tests for H2C0......Page 123
References......Page 126
1. Introduction......Page 127
2. A neuro-fuzzy network......Page 128
3. Prediction interval derivation......Page 129
4. 'Illustrative example......Page 130
References......Page 132
25. M. M. Cerimele, D. Mansutti and F. Pistella, Marangoni Efsects in a Horizontal Solidjkation Process in Microgravity......Page 133
References......Page 136
26. C. S. Chew, K. S. Yeo and C. Shu, Simulation of Incompressible Flows Across Moving Bodies Using Meshless Finite Difrerencing......Page 137
References......Page 138
1. Introduction......Page 141
2. System Design......Page 142
References......Page 144
1. Extended Abstract......Page 145
References......Page 148
2. Molecular model......Page 149
3. Simulation method......Page 150
4. Results......Page 151
References......Page 155
30. N. J. Daras, Markov 's Property and Generalized Pade-Type Approximants......Page 156
1. References......Page 159
1. Introduction......Page 161
2. Grid Arrangement......Page 162
3. Computational Modeling......Page 164
5. Closure......Page 165
References......Page 166
32. K. Dosios, K. Paparrizos, N. Samaras and A. Sifaleras, An Eflcient Modijkation of the Primal-Dual Ttwo Paths Simplex Algorithm......Page 167
References......Page 170
1. Introduction......Page 171
2. Comparative results......Page 172
References......Page 174
1. Introduction......Page 175
2. Matrix perturbations......Page 176
3. Cycloalkanes......Page 177
References......Page 178
1. Introduction......Page 179
3. Matching-Characteristics Algorithm (MCA)......Page 180
References......Page 182
1. Introduction......Page 183
2 -2. Approximate Regularities......Page 184
3.1. Smallest Distance Approximate Period/Cover/Seed Problem......Page 185
4.2. Performance......Page 186
References......Page 188
1. Introduction......Page 189
2. Distributed Suffix Trees......Page 190
2.1. Operations on the DST......Page 191
References......Page 193
1. Introduction......Page 194
3. Results and Discussion......Page 195
References......Page 197
39. S. C. Farantos, Bihrcation Phenomena in Molecular Vibrational Spectroscopy......Page 198
References......Page 201
1. Introduction......Page 202
2. Materials & Methods......Page 203
3. Results and Conclusions......Page 204
References......Page 205
1. Introduction......Page 206
1.3. Deposition......Page 207
2. Deposition mechanisms in a filter......Page 208
4. Results and Conclusions......Page 210
References......Page 211
42. E. E. Gdoutos, A. A. Giannakopoulos and D. A. Zacharopoulos, Stress Analysis and Failure Mechanisms of Compose Materilas with Debonded Interfaces......Page 213
1. Introduction......Page 215
2. Methods and materials......Page 216
3. Results and Discussion......Page 217
References......Page 218
44. D. Greenspan, N-Body Modelling......Page 219
1. Introduction......Page 220
Theory.......Page 221
Modeling and the Results.......Page 223
References......Page 226
1. Introduction......Page 228
4. Calculation of the thermo-elastic behavior of the concrete......Page 229
5. Micromechanical analysis......Page 230
References......Page 231
1. Introduction......Page 232
2. Main contribution......Page 233
References......Page 235
1. Introduction......Page 236
3. Simulation results and Shannon's entropy analysis......Page 237
4. Discussion......Page 238
References......Page 239
1. Extended Abstract......Page 240
References......Page 244
1. Introduction......Page 246
3. Computational details......Page 247
4. Results and Discussion......Page 248
References......Page 249
1. Introduction......Page 251
2. Theory......Page 252
3. Minimization Procedure......Page 254
4. Results......Page 255
References......Page 257
1. Formulation of the problem......Page 259
2. Generalized solution......Page 262
3. Numerical aspects......Page 263
References......Page 264
1. Introduction......Page 265
2.1. A Discrete Spartan Model in Two Dimensions......Page 266
2.2. The Covariance Spectral Density......Page 267
3. Fast-Fourier-Transform Simulation Method......Page 268
3.1. Numerical Experiments......Page 269
References......Page 270
54. L. S. Iliadis, S. H. Spartalis, Fundamental Fuzzy Relation Concepts of a D.S.S. for the Estimation of Natural Disasters’ Risk (The Case of a Trapezoidal Membership Function)......Page 271
1. Introduction......Page 273
2. Methodology......Page 274
3. Numerical Test......Page 275
References......Page 276
1. Introduction......Page 277
2. Model......Page 278
References......Page 280
57. A. Kaczanowski, K. Malan and K. Kulakowski Hysteresis Loop of a Nanoscopic Magnetic Array......Page 281
References......Page 284
58. Z. Kalogiratou, Th. Monovasilis, Th. Simos, Numerical Solution of the Two- Dimensional Time Independent Schrodinger Equation with Exponential-Fitting Methods......Page 285
2. Partial discretization of the two-dimensional equation......Page 286
3. Application of exponential-fitting methods......Page 287
4.1. Two-dimensional harmonic oscillator......Page 289
References......Page 290
1. Introduction......Page 291
2. Material and Methods......Page 292
3. Results and discussion......Page 293
References......Page 294
60. I. Kalatzis and N. Piliouras, D. Pappas, E. Ventouras and D. Probabilistic Neural Network Classifier Versus Multilayer Perceptron ClassiJier in Discriminating Brain Spect Images of Patients with Diabetes fiom Normal Controls Cavouras, 272-276......Page 295
3. Results and discussion......Page 296
References......Page 298
1. Introduction......Page 300
2. Molecular Dynamics and Computational Details......Page 301
4. Results and Discussion......Page 302
References......Page 303
1. Introduction......Page 304
3. Results and Discussion......Page 305
References......Page 307
1. Introduction......Page 308
3. Results......Page 309
References......Page 311
64. N. Karatsis and G. Maroulis, Molecular Structure and Electric Polarizability in Sodium Chloride Clusters......Page 312
References......Page 314
1. Introduction......Page 315
Theory.......Page 316
The results......Page 318
References......Page 319
66. S. H. Kashani, A Fuzzy Logic Paradigm for Industrial Economics Analysis......Page 320
1. Introduction......Page 321
2. Simulation and analysis......Page 322
References......Page 324
1. HDMR Fundamentals......Page 325
3. Numerical Experiment......Page 327
References......Page 328
69. P. Kolorenc, J. Horacek, K. Houfek and M. C. Zek, G. Mil’Nikov  H. Nakamura, Calculation of Vibrational Excitation of Diatomic Molecules Below Dissociative Attachment Threshold......Page 329
References......Page 331
70. K. Konstantinidis and I. Andreadis, On the Use of Color Histograms for content Based Image Retrieval in Various Color Spaces......Page 332
References......Page 333
2. Computational Details......Page 334
3. Structural Trends......Page 335
4. Relative Stability Trends......Page 336
5. Discussion and Conclusion......Page 337
References......Page 338
1. Introduction......Page 339
3. Method of Investigations......Page 342
Molecular dynamics......Page 343
4. Selected examples of studied chromatographic systems......Page 344
References......Page 345
73. M. I. Krivoruchenko, E. Alessio, V. Frappietro and L. J. Streckert, Probability Distributions of Volatility in Financial Time Series......Page 346
References......Page 349
1. Introduction......Page 350
Four-field system:......Page 353
References......Page 354
1.1. Introduction......Page 356
1.3. Concept of the Low Energy -Active Suspension System......Page 357
1.4. Vehicle Dynamics Model Techniques & Tools......Page 358
1.6. Conclusions......Page 359
1. The problem and the methods......Page 360
3. P-stability......Page 361
References......Page 362
1. Introduction......Page 363
2. Methods......Page 364
3. Experimental Results......Page 365
References......Page 366
1. Introduction......Page 369
2. A new approach to cryptanalysis......Page 370
3. Alice to Alice cryptography......Page 371
References......Page 372
1. Introduction......Page 373
1.2. Differential-algebraic equation by Euler-Lagrange Formulation......Page 374
2.1 Numerical Algorithm......Page 375
3. Numerical Results......Page 377
4. Conclusions......Page 380
References......Page 381
80. T. Levitina and E. J. Brandas, Numerical Quadrature Performed on the Generalized Prolate Spheroidal Functions......Page 383
References......Page 386
Abstract......Page 388
1. Introduction......Page 389
2. Mathematical formulation......Page 390
3. Annulus Rivulet......Page 391
4.1. The direct problem......Page 393
4.2. The inverse problem......Page 394
5. Pressure gradient vs. flux of water......Page 397
6. Conclusions......Page 398
References......Page 399
83. M. Liapi, K. Alketas Ougrinis, The Transmutation of the Architectural Synthesis. Morphing Procedures Through the Adaptation of Information Technologv......Page 400
References......Page 404
1. Introduction......Page 405
3. Parallel Adaptive Computational Method......Page 406
5. Conclusions......Page 407
Acknowledgments......Page 408
References......Page 409
1. Introduction......Page 410
2. Mathematical Model and Computational Method......Page 411
References......Page 413
1. Extended Abstract......Page 414
1. Introduction......Page 418
2. Results and discussion......Page 419
3. Summary and conclusions......Page 422
1. Introduction and Theory......Page 423
4. How reliable are DFT methods in interaction hyperpolarizability calculations? (H20)2 as a test case.......Page 424
References......Page 427
1. Introduction......Page 428
2. The fractal dimension......Page 429
4. Results......Page 430
References......Page 431
Extended Abstract......Page 432
References......Page 435
1. Introduction......Page 436
2.4. Superimposition studies.......Page 437
References......Page 439
1. The qualitative behaviour of numerical methods......Page 441
2. Examples of the Hamilton systems and behaviour of the Taylor series algorithms......Page 442
2.2. The linear oscillator problem......Page 443
3. The behaviour of the approximate Hamiltonian obtained by Taylor series algorithms......Page 444
4. The adaptive algorithm for assuring desired local error and preserving the initial value of Hamiltonian......Page 446
5. The result of numerical experiments......Page 447
6. Conclusions......Page 448
References......Page 449
93. B. F. Minaev and H. Agren, Enzymatic Spin Catalysis Involving 0,......Page 450
References......Page 454
1. Introduction......Page 455
2. Almost Runge-Kutta methods......Page 456
References......Page 458
1. Introduction......Page 459
1.1. Formulation of the problem......Page 460
2.1. Implicit Taylor series methods up t o fifth order......Page 461
2.3. The stability analysis of the algorithms......Page 463
3.1. The test problem......Page 464
3.2. Automatic error control and numerical complexity......Page 465
4. Conclusions......Page 466
References......Page 467
96. Th. Monovasilis, Z. Kalogiratou, T. E. Simos, Exponential-Fitting Symplectic Methods for the Numerical Integration of the Schrodinger Equation......Page 469
3.1. Symplectic numerical schemes......Page 470
4.1. The Harmonic Oscillator......Page 472
References......Page 473
97. H. Nakatsuji, Structure of the Exact Wave Function: Progress Report......Page 474
References......Page 476
98. S. Nikolif and N. Trinajstib, Complexity of Molecules......Page 477
References......Page 479
1. Introduction......Page 480
3. Results and Discussion......Page 481
References......Page 483
1. Introduction......Page 484
1.1. Rayleigh-Ritz- Galerkin approach......Page 485
2. Free boundary conditions approach......Page 486
References......Page 488
1. Introduction......Page 489
2. Dirac equation and B-splines method......Page 490
2.1. Continuum states and normalization.......Page 491
References......Page 492
1. Introduction......Page 493
2. Distributions for claim counts......Page 494
3. Comparing the claim distributions using the Bayesian approach......Page 495
References......Page 496
103. N. Orfanoudakis, H. Hatziapostolou, E. Mastorakos, E. Sardi, K. Krallis, N. Vlachakis, S. Mavromatis, Design, evaluation measurements and CFD Modeling of a Small Swirl Stabilised Laboratory Burner......Page 497
1. Introduction......Page 502
2.2. Suffrv Trees and their use......Page 503
3. Methodology......Page 504
4. Experimental Results......Page 505
References......Page 506
1. Introduction......Page 507
2.2. Nash Equilibrium as a Global Minimizer......Page 508
3. Particle Swarm Optimization......Page 509
5. Experimental Results......Page 510
References......Page 512
106. D. G. Pavlou, N. V. Vlachakis, M. G. Pavlou, V. N. Vlachakis, M. Kouskouti, I. Statharas, Foundamental Solution of the Cracked Dissimilar Elastic Space......Page 513
107. G. Papakaliatakis, D. Karalekas, Study of Fracture in SIC/AL Composites......Page 515
108. G. Papakaliatakis, Computational Study of the Crack Extension Initiation in a Solid Propellant Plate with a Circular Hole......Page 517
References......Page 518
1. Introduction......Page 519
2. Recovery procedure......Page 520
3. Example......Page 521
References......Page 522
1. Introduction......Page 523
2.1. Discovering Mot@ in DNA Sequences......Page 524
3.2. Functional Modeling......Page 525
References......Page 526
1. Introduction......Page 527
2. Components of the Framework......Page 529
MFP (Maximum Forward Path)......Page 530
MBP (Minimum Backward Path)......Page 531
User......Page 532
3. Scheme of the Mining Task......Page 533
References......Page 534
1. Introduction......Page 535
2. Temporal Sequential Discovery Algorithm......Page 537
3. Constructing Data Cubes: Sequence Cube and Working Cube......Page 538
4. Algorithm for Mining Periodicity......Page 540
References......Page 542
113. L. Pogliani, Introducing Complete Graphs in Molecular Connectivity Studies......Page 543
Acknowledgments......Page 544
Extended abstract......Page 545
References......Page 548
Extended abstract......Page 549
References......Page 551
117. A. Rizzo, Birej-ingences: A Challenge for Both Theory and Experiment......Page 553
References......Page 555
1.1. Anaesthesia administration and computer assisted dosing......Page 557
1.2. Closed-Loop control of Anaesthesia......Page 558
2. A model based approach to closed-loop control......Page 559
References......Page 560
2. Method......Page 561
3. Field Solution......Page 563
References......Page 564
1. Extended Abstract......Page 565
References......Page 568
121. N. RUSSO, T. Marino, E. Sicilia and M. Toscano, Past, Present and Future Challenge of Density Functional Theory Based in Molecular Sciences......Page 569
References......Page 572
1. Introduction......Page 573
1.3 Experimental results......Page 574
References......Page 577
1. Introduction......Page 578
References......Page 579
1. Introduction......Page 580
2. Shells and Shell Elements in Mechanics......Page 581
4. 3.1Shell Elements:......Page 582
CONCLUSIONS......Page 583
1. Introduction......Page 584
2. Basic notation and preliminaries......Page 585
3. Guidelines to select the parameters......Page 586
References......Page 589
Introduction......Page 590
Methodology (An Overview)......Page 591
References......Page 593
1 .I. Chemical Arithmetics and Computing Through Self-Assemblage Symmetry Transformations......Page 594
1.2. General Preliminaries......Page 595
2.1. Compensating Systems......Page 597
2.2. Criteria of Quality for Measurements of Symmetry Formation and Collapses......Page 600
3.1. Determination of Algebraic Groups of Non-Complex Molecules......Page 602
3.2. Generalized Species of Structures Support of Chemical Numbers and Ariimetics - A Theorem On a Priori Partitions......Page 603
References......Page 606
128. A. Sharma, The Generalised Mass-Energv Equation hE = AC2hM; Its Mathematical Justification and Application in General Physics and Cosmology......Page 608
References......Page 609
1. Introduction......Page 610
2.1 Cherry-picking......Page 611
2.2 Fully combinatorial super-array library design......Page 612
2.3 Tiling......Page 613
Reference......Page 615
1.1. Level Set problem......Page 616
1.3. RKDG Level Set Formulation......Page 618
2. Results......Page 619
References......Page 620
1. Introduction......Page 621
2. A General Architecture for a Global EPR System......Page 622
3. An XML Based Framework for Modelling EPR Cases......Page 623
4. Conclusions......Page 625
References......Page 626
1. Relevance and importance......Page 627
2.1. Simulation of radiation transfer and calculation of necessary optical properties of medium......Page 628
2.3. Simulation of mass transfer inside volatile porous medium......Page 629
2.4. Simulation of mass and energy transfer i n innemnost coma......Page 630
3. Basic results and conclusions......Page 631
References......Page 633
1 .Introduction......Page 634
2. Materials and Methods......Page 635
4. Discussion......Page 636
5. References......Page 637
1. Motivation and Introduction......Page 638
2. Two-steps refinement problem......Page 639
4. A test mesh as case study......Page 640
References......Page 641
Abstract......Page 642
136. A. J. Thakkar, Density Functionals for Moments of the Electron Momentum Distribution......Page 645
References......Page 648
1. Introduction......Page 649
3. Results......Page 650
4. Discussion......Page 651
5. References......Page 652
1. Abstract......Page 654
References......Page 656
1. Introduction......Page 657
2. Chromatic Modulation Theory......Page 658
3. Chemical pH and Chromaticity measurements......Page 659
4. Experimental Method......Page 660
References......Page 661
1. Introduction......Page 662
3. Results......Page 663
References......Page 665
141. S. Tsantis, D. Cavouras, N. Dimitropoulos, G. Nikiforidis, Denoising Sonographic Images of Thyroid Nodules Via Singularity Detection Employing the Wavelet Transform Modulus Maxima......Page 666
3. Results and Discussion......Page 667
References......Page 669
1. Basic Theory......Page 670
2. Dispersion and Dissipation in Runge-Kutta methods......Page 671
References......Page 672
143. S. Tsitmidelis, M. V. Koutras, V. Zissimopoulos, ReliabiIity Bounds Improvement Via Cut Set or Path Set Rearrangements......Page 673
1. Introduction......Page 674
References......Page 677
1. Introduction......Page 679
3. Results and Discussion......Page 680
4. Conclusions......Page 681
References......Page 682
0.1. Abstract:......Page 683
References......Page 685
147. G. D. Verros, Computer Aided Estimation of Molecular Weight and Long Chain Branching Distribution in Free Radical Polymerization......Page 686
2. Kinetic Mechanism......Page 687
3. Results and Discussion......Page 688
References......Page 689
148. J. sgo-Aguiar, H, Rarnos, VS-VO Numerov Method for the Numerical Solution of the Schrodinger Equation......Page 690
References......Page 692
149. M. De’ Michieli Vitturi, F. Beux, Nonlinear Pressure and Temperature Waves Propagation in Fluid Saturated Rock......Page 693
References......Page 695
1. Introduction......Page 696
2. Experimental......Page 697
3. Neuro-fuzzy Classifier......Page 698
5. Model structure and results......Page 699
References......Page 700
1. Introduction......Page 701
3. Energy model......Page 702
4. Results......Page 703
References......Page 704
152. S. Wilson, On the Systematic Construction of Molecular Basis Sets......Page 705
References......Page 708
1. Wave function and examples......Page 710
2. Energy correction for excited states and examples......Page 712
References......Page 714
Abstract......Page 715
References......Page 717