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This practical introduction to stochastic reaction-diffusion modelling is based on courses taught at the University of Oxford. The authors discuss the essence of mathematical methods which appear (under different names) in a number of interdisciplinary scientific fields bridging mathematics and computations with biology and chemistry. The book can be used both for self-study and as a supporting text for advanced undergraduate or beginning graduate-level courses in applied mathematics. New mathematical approaches are explained using simple examples of biological models, which range in size from simulations of small biomolecules to groups of animals. The book starts with stochastic modelling of chemical reactions, introducing stochastic simulation algorithms and mathematical methods for analysis of stochastic models. Different stochastic spatio-temporal models are then studied, including models of diffusion and stochastic reaction-diffusion modelling. The methods covered include molecular dynamics, Brownian dynamics, velocity jump processes and compartment-based (lattice-based) models.
This book addresses the key issues in the modeling and simulation of diffusive processes from a wide spectrum of different applications across a broad range of disciplines. Features: discusses diffusion and molecular transport in living cells and suspended sediment in open channels; examines the modeling of peristaltic transport of nanofluids, and isotachophoretic separation of ionic samples in microfluidics; reviews thermal characterization of non-homogeneous media and scale-dependent porous dispersion resulting from velocity fluctuations; describes the modeling of nitrogen fate and transport at the sediment-water interface and groundwater flow in unconfined aquifers; investigates two-dimensional solute transport from a varying pulse type point source and futile cycles in metabolic flux modeling; studies contaminant concentration prediction along unsteady groundwater flow and modeling synovial fluid flow in human joints; explores the modeling of soil organic carbon and crop growth simulation.
This book provides the basis of a formal language and explores its possibilities in the characterization of multiplex networks. Armed with the formalism developed, the authors define structural metrics for multiplex networks. A methodology to generalize monoplex structural metrics to multiplex networks is also presented so that the reader will be able to generalize other metrics of interest in a systematic way. Therefore, this book will serve as a guide for the theoretical development of new multiplex metrics. Furthermore, this Brief describes the spectral properties of these networks in relation to concepts from algebraic graph theory and the theory of matrix polynomials. The text is rounded off by analyzing the different structural transitions present in multiplex systems as well as by a brief overview of some representative dynamical processes. Multiplex Networks will appeal to students, researchers, and professionals within the fields of network science, graph theory, and data science.
Collecting the work of the foremost scientists in the field, Discrete-Event Modeling and Simulation: Theory and Applications presents the state of the art in modeling discrete-event systems using the discrete-event system specification (DEVS) approach. It introduces the latest advances, recent extensions of formal techniques, and real-world examples of various applications. The book covers many topics that pertain to several layers of the modeling and simulation architecture. It discusses DEVS model development support and the interaction of DEVS with other methodologies. It describes different forms of simulation supported by DEVS, the use of real-time DEVS simulation, the relationship between DEVS and graph transformation, the influence of DEVS variants on simulation performance, and interoperability and composability with emphasis on DEVS standardization. The text also examines extensions to DEVS, new formalisms, and abstractions of DEVS models as well as the theory and analysis behind real-world system identification and control. To support the generation and search of optimal models of a system, a framework is developed based on the system entity structure and its transformation to DEVS simulation models. In addition, the book explores numerous interesting examples that illustrate the use of DEVS to build successful applications, including optical network-on-chip, construction/building design, process control, workflow systems, and environmental models. A one-stop resource on advances in DEVS theory, applications, and methodology, this volume offers a sampling of the best research in the area, a broad picture of the DEVS landscape, and trend-setting applications enabled by the DEVS approach. It provides the basis for future research discoveries and encourages the development of new applications.
This book focuses on modeling the anomalous diffusion phenomena, being ubiquitous in the natural world. Both the microscopic models (stochastic processes) and macroscopic models (partial differential equations) have been built up. The relationships between the two kinds of models are clarified, and based on these models, some statistical observables are analyzed. From statistics to mathematics, the built models show their power with their associated applications.This book is important for students to develop basic skills to be able to succeed in their future research. In addition to introducing the related models or methods, it also provides the corresponding applications and simulation results, which will attract more readers ranging from mathematicians to physicists or chemists, to name a few.
Clays are used as barriers for the isolation of landfills and contaminated sites. They are envisioned as long-term storage media for hazardous materials and radioactive wastes, and as seals in the case of geological CO2 sequestration or energy storage. Clay properties greatly influence the integrity, efficiency, and safety of these applications. Natural and Engineered Clay Barriers provides a clear view of the fundamental properties of clay materials and how these properties affect their engineering applications. This volume focuses on how the mass transfer properties (hydraulic permeability, gas fluxes, molecular diffusion, semi-permeable membrane properties), geochemical reactivity (adsorption, dissolution) and mechanical properties of clay barriers at the macroscale are influenced by phenomena that occur at clay mineral - water interfaces. - Examines clay properties from the molecular to the macroscopic scale - Addresses experimental and modeling issues - Authored by experts in the properties of clay barriers
Since process models are nowadays ubiquitous in many applications, the challenges and alternatives related to their development, validation, and efficient use have become more apparent. In addition, the massive amounts of both offline and online data available today open the door for new applications and solutions. However, transforming data into useful models and information in the context of the process industry or of bio-systems requires specific approaches and considerations such as new modelling methodologies incorporating the complex, stochastic, hybrid and distributed nature of many processes in particular. The same can be said about the tools and software environments used to describe, code, and solve such models for their further exploitation. Going well beyond mere simulation tools, these advanced tools offer a software suite built around the models, facilitating tasks such as experiment design, parameter estimation, model initialization, validation, analysis, size reduction, discretization, optimization, distributed computation, co-simulation, etc. This Special Issue collects novel developments in these topics in order to address the challenges brought by the use of models in their different facets, and to reflect state of the art developments in methods, tools and industrial applications.
Diffusion processes are a promising instrument for realistically modelling the time-continuous evolution of phenomena not only in the natural sciences but also in finance and economics. Their mathematical theory, however, is challenging, and hence diffusion modelling is often carried out incorrectly, and the according statistical inference is considered almost exclusively by theoreticians. This book explains both topics in an illustrative way which also addresses practitioners. It provides a complete overview of the current state of research and presents important, novel insights. The theory is demonstrated using real data applications.
Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference work for years to come.
This book deals with metal processing and its numerical modelling and simulation. In total, 21 papers from different distinguished authors have been compiled in this area. Various processes are addressed, including solidification, TIG welding, additive manufacturing, hot and cold rolling, deep drawing, pipe deformation, and galvanizing. Material models are developed at different length scales from atomistic simulation to finite element analysis in order to describe the evolution and behavior of materials during thermal and thermomechanical treatment. Materials under consideration are carbon, Q&T, DP, and stainless steels; ductile iron; and aluminum, nickel-based, and titanium alloys. The developed models and simulations shall help to predict structure evolution, damage, and service behavior of advanced materials.