Hybrid multiscale simulation approaches for micro- and nanoflows:
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
München
Verl. Dr. Hut
2013
|
| Edition: | 1. Aufl. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | 183 S. Ill., graph. Darst. |
| ISBN: | 9783843911788 |
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MARC
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Record in the Search Index
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|---|---|
| adam_text | CONTENTS
ABSTRACT 5
ZUSAMMENFASSUNG 7
ACKNOWLEDGEMENT 9
LIST OF ABBREVIATIONS AND SYMBOLS 11
I INTRODUCTION 13
1 SCALES IN PHYSICS AND IMPRESSIONISM 13
2 ON MULTISCALE PROBLEMS IN COMPUTATIONAL FLUID DYNAMICS 14
2.1 MULTISCALE MODELLING 14
2.2 MULTISCALE SCENARIOS AND SCALE TRANSITIONS 17
2.3 SOFTWARE CHALLENGES 19
2.4 STATE-OF-THE-ART SOFTWARE FOR MULTISCALE FLUID DYNAMICS APPLICATIONS
20
3 AIMS AND OUTLINE 24
II THEORETICAL FOUNDATION: MODELLING FLOWS ON DIFFERENT SCALES 27
4 MICROSCOPIC MODELLING: MOLECULAR DYNAMICS 27
4.1 MODEL DESCRIPTION 27
4.2 DISCRETISATION AND NUMERICAL SCHEMES 28
4.3 FEATURES AND LIMITATIONS 29
5 MESOSCOPIC MODELLING: THE LATTICE BOLTZMANN METHOD 30
5.1 INTRODUCTION 30
5.2 MODEL DESCRIPTION 30
5.3 THE COLLISION OPERATOR: ASSUMPTIONS AND MODELS 32
5.4 ADAPTIVE FORMULATIONS 34
5.5 BOUNDARY CONDITIONS 36
5.6 MOVING OBSTACLES 39
5.7 EXTENSION TO FINITE KNUDSEN NUMBERS 42
5.8 FEATURES AND LIMITATIONS 45
6 * MACROSCOPIC MODELLING: THE NAVIER-STOKES EQUATIONS 46
6.1 MODEL DESCRIPTION 46
6.2 DISCRETISATION AND NUMERICAL SCHEMES 48
6.3 PARTICLE-IN-FLOW SIMULATIONS BASED ON FAXFEN S THEOREMS 49
6.4 FEATURES AND LIMITATIONS 51
7 FROM MICRO TO MACRO: SCALE TRANSITIONS 51
7.1 FROM MOLECULES TO POPULATIONS 52
7.2 FROM POPULATIONS TO MACROSCOPIC CONSERVATION LAWS 55
III ALGORITHMS AND IMPLEMENTATIONS 59
8 MOLECULAR DYNAMICS SIMULATIONS 59
8.1 MARDYN 60
8.2 BUILT-IN MOLECULAR DYNAMICS 60
9 A SHORT INTRODUCTION TO PEANO 62
3
HTTP://D-NB.INFO/1042080240
CONTENTS
10 LATTICE BOLTZMANN IMPLEMENTATIONS WITHIN PEANO 66
10.1 MOTIVATION 66
10.2 EFFICIENCY AND COMPATIBILITY 67
10.3 THE BLOCK-STRUCTURED LATTICE BOLTZMANN APPLICATION IN PEANO .... 69
10.4 IMPLEMENTATION OF THE LATTICE BOLTZMANN ALGORITHM 71
10.4.1 COLLISION MODELS 72
10.4.2 BOUNDARY TREATMENT 73
10.4.3 STREAMING 73
10.5 IMPLEMENTATIONS ON THE SPACETREE GRID 74
10.5.1 STATIC ADAPTIVITY 76
10.5.2 DYNAMIC GRID REFINEMENT 79
11 NAVIER-STOKES SIMULATIONS WITHIN PEANO 82
12 LATTICE BOLTZMANN-NAVIER-STOKES SIMULATIONS 84
12.1 MOTIVATION 84
12.2 EXCHANGE OF FLOW QUANTITIES: AN OPTIMISATION APPROACH 85
12.3 COUPLED IMPLEMENTATIONS WITHIN PEANO 89
12.3.1 TECHNICAL DETAILS 89
12.3.2 TWO-WAY FLOW COUPLING 91
12.3.3 A HIERARCHICAL HYBRID PARTICLE TRANSPORT METHOD 92
13 MOLECULAR DYNAMICS-LATTICE BOLTZMANN SIMULATIONS 96
13.1 MOTIVATION 96
13.2 EXCHANGE AND CONSERVATION OF FLOW QUANTITIES: MODELS AND ALGORITHMS
98
13.3 PROTOTYPE IMPLEMENTATIONS: IDENTIFICATION OF SOFTWARE REQUIREMENTS
. 105
13.4 THE MACRO-MICRO-COUPLING TOOL (MAMICO) 108
IV APPLICATIONS AND NUMERICAL RESULTS 115
14 LATTICE BOLTZMANN SIMULATIONS WITHIN PEANO: VALIDATION AND
PERFORMANCE . . 116
15 FLOWS AT FINITE KNUDSEN NUMBERS: VALIDATION AND MICROREACTOR
SIMULATIONS 125
16 SIMULATION OF PARTICLE TRANSLOCATION IN DRIFT RATCHETS 132
16.1 SHORT-TIME PARTICLE DISPLACEMENT 133
16.2 LONG-TIME SIMULATIONS: LATTICE BOLTZMANN-NAVIER-STOKES
METHODS 139
17 MOLECULAR DYNAMICS-LATTICE BOLTZMANN COUPLING 146
17.1 MAMICO: VALIDATION AND PERFORMANCE 146
17.2 ON RDF-BASED BOUNDARY FORCING 153
17.3 TOWARDS THE MOLECULAR-CONTINUUM SIMULATION OF NANOFILTERS 158
V SUMMARY AND OUTLOOK 165
APPENDIX 169
BIBLIOGRAPHY 173
4
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| indexdate | 2024-07-10T00:53:24Z |
| institution | BVB |
| isbn | 9783843911788 |
| language | English |
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| physical | 183 S. Ill., graph. Darst. |
| publishDate | 2013 |
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| publisher | Verl. Dr. Hut |
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| spelling | Neumann, Philipp Verfasser (DE-588)1197033432 aut Hybrid multiscale simulation approaches for micro- and nanoflows Philipp Rainer Neumann 1. Aufl. München Verl. Dr. Hut 2013 183 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Zugl.: München, Techn. Univ., Diss., 2013 Numerische Strömungssimulation (DE-588)4690080-9 gnd rswk-swf Molekulardynamik (DE-588)4170370-4 gnd rswk-swf Mehrskalenmodell (DE-588)7600619-0 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Numerische Strömungssimulation (DE-588)4690080-9 s Mehrskalenmodell (DE-588)7600619-0 s Molekulardynamik (DE-588)4170370-4 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026735604&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Neumann, Philipp Hybrid multiscale simulation approaches for micro- and nanoflows Numerische Strömungssimulation (DE-588)4690080-9 gnd Molekulardynamik (DE-588)4170370-4 gnd Mehrskalenmodell (DE-588)7600619-0 gnd |
| subject_GND | (DE-588)4690080-9 (DE-588)4170370-4 (DE-588)7600619-0 (DE-588)4113937-9 |
| title | Hybrid multiscale simulation approaches for micro- and nanoflows |
| title_auth | Hybrid multiscale simulation approaches for micro- and nanoflows |
| title_exact_search | Hybrid multiscale simulation approaches for micro- and nanoflows |
| title_full | Hybrid multiscale simulation approaches for micro- and nanoflows Philipp Rainer Neumann |
| title_fullStr | Hybrid multiscale simulation approaches for micro- and nanoflows Philipp Rainer Neumann |
| title_full_unstemmed | Hybrid multiscale simulation approaches for micro- and nanoflows Philipp Rainer Neumann |
| title_short | Hybrid multiscale simulation approaches for micro- and nanoflows |
| title_sort | hybrid multiscale simulation approaches for micro and nanoflows |
| topic | Numerische Strömungssimulation (DE-588)4690080-9 gnd Molekulardynamik (DE-588)4170370-4 gnd Mehrskalenmodell (DE-588)7600619-0 gnd |
| topic_facet | Numerische Strömungssimulation Molekulardynamik Mehrskalenmodell Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026735604&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT neumannphilipp hybridmultiscalesimulationapproachesformicroandnanoflows |