Introduction
Geoscience is a fundamental natural science discipline dealing with the origin, evolutionary history and behaviour of the planet Earth. As a result of its complicated and complex nature, the Earth system not only provides the necessary materials and environment for mankind to live, but also brings many types of natural disasters, such as earthquakes, volcanic eruptions, tsunamis, oods and tornadoes, to mention just a few. With the ever-increasing demand for improving our living standards, it has been recognized that the existing natural resources will be exhausted in the near future and that our living environments are, in fact, deteriorating. To maintain the sustainable development of our living standards and the further improvement of our living environments, an inevitable and challenging task that geoscientists are now confronting is how accurately to predict not only the occurrences of these natural disasters, but also the locations of large concealed natural resources in the deep Earth. For this reason, geoscientists must study the processes, rules and laws, by which the Earth system operates, instead of simply describing and observing geoscience phenomena. Specically, geoscientists need to make greater efforts in the following aspects relevant to solving contemporary geoscience problems: (1) the complicated and complex interactions between multi-scales and multi-processes occurring in the solid Earth; (2) gather, accumulate and analyze the large amount of information and data that are essential to understand each of the controlling processes within the interior of the Earth using modern observation equipment, measurement tools, experimental instruments and information processing techniques; (3) the intimate interplay between the solid Earth, biosphere, hydrosphere and atmosphere. It is this intimate interplay that controls the global behaviour of the Earth system. As a result, geoscientists must adopt scientic and predictive methods relevant to conduction of contemporary geoscience research, instead of simply using the traditional descriptive methods. Computational science is a modern technological science discipline dealing with the development and application of numerical methods, procedures, algorithms and other numerical techniques for delivering numerical solutions for complicated and complex scientic and engineering problems. With the rapid advances and developments of modern computer technology, applications of computational science have penetrated almost all engineering elds: from the topological
C. Zhao et al., Fundamentals of Computational Geoscience, Lecture Notes in Earth Sciences 122, DOI 10.1007/978-3-540-89743-9 1, C Springer-Verlag Berlin Heidelberg 2009 1
Introduction
optimization of a tooth brush to that of a giant aircraft; from the collapse simulation of a concrete beam to that of a huge double curvature arch dam; from the optimal layout design of a pipeline to that of a large-scale underground tunnel, to name just a few. Since computational science is a comprehensive discipline bringing geology, geophysics, geochemistry, mathematics, physics, chemistry, biology and numerical techniques together, it can be used effectively and efciently to simulate the processes involved in complicated scientic and engineering problems in a scientic and predictive manner. In this sense, computational science is a natural supplier to meet the demands of geoscientists in solving contemporary geoscience problems. It is this demand and supply relationship that has created a brand new discipline, computational geoscience, in the past decade (Zhao et al. 2008a).
1.2
1.2 Basic Steps Associated with the Research Methodology of Computational Geoscience
Generally speaking, the research methodology of computational geoscience is a comprehensive research methodology, which is formed by combining eld observation, theoretical analysis, numerical simulation and eld validation. The primary aim of using this research methodology is to investigate the dynamic processes and mechanisms involved in an observed geological phenomenon, rather than to describe the observed geological phenomenon itself. The appropriate research methodology of computational geoscience is usually comprised of the following four main steps: (1) the establishment of a conceptual model for a given geoscience problem; (2) the establishment of a mathematical model for the given problem; (3) the construction of a numerical simulation model for the given problem and (4) the graphical display of the numerical results obtained from the numerical simulation.
Introduction
translated into a mathematical model, which is usually comprised of a set of partial differential equations. Due to the complex and complicated nature of these equations, it is very difcult, if not impossible, to nd analytical solutions. Alternatively, numerical simulation methods need to be used to nd approximate solutions for the problem. To ensure the accuracy and reliability of the numerical simulation solution, it is necessary to investigate the solution characteristics of the partial differential equations through a theoretical analysis. For example, some theoretical methods can be used to investigate the solution singularity and multiple solution characteristics of the partial differential equations, as well as the conditions under which such characteristics can occur. If possible, a benchmark model should be established for a particular kind of geoscience problem. The geometrical nature and boundary conditions of this benchmark model can be further simplied, so that the theoretical solution, known as the benchmark solution, can be obtained. This benchmark solution is valuable and indispensable for the verication of both the numerical algorithm and the computer code, which are used to solve the problem that is generally characterised by a complicated geometrical shape and complex material properties. It must be pointed out that, due to the approximate nature of a numerical method, the theoretical investigation of the solution characteristics associated with the partial differential equations of a problem plays an important role in applying the research methodology of computational geoscience to solve real problems. This is the key step to ensure the accuracy and reliability of the numerical solution obtained from the numerical simulation of the problem.
1.3
designed for solving engineering problems, cannot be directly used to solve geoscience problems without modication. For this reason, it is necessary either to develop new computer programs for solving geoscience problems or to modify the existing commercial computer programs, originally designed for solving engineering problems, so as to be suitable for these problems. It is noted that the solution reliability of a geoscience problem is strongly dependent on algorithm convergence, algorithm stability, mesh shape, time-step and other factors. To ensure the accuracy and reliability of the computational simulation result for a problem, the above-mentioned factors need to be carefully considered in the process of establishing the computational simulation model. A newly-developed computer program needs to be veried through the corresponding benchmark problem before it is used to solve any real geoscience problems. Otherwise, the reliability of the numerical solution obtained from a newly-developed computer program cannot be guaranteed.
Introduction
numerical procedures and algorithms to tackle the large-scale aspects of geoscience problems. The geoscience problems to be considered are closely related to ore body formation and mineralization in hydrothermal systems within the upper crust of the Earth. The arrangements of the forthcoming parts of this monograph are as follows: In Chap. 2, a progressive asymptotic approach procedure is proposed to solve steady-state convective pore-uid ow problems within the upper crust of the Earth. In combination with the nite element method, this procedure has been applied to simulate convective pore-uid ow that often plays an important role in ore body formation and mineralization. In Chap. 3, a consistent point-searching interpolation algorithm is proposed to develop a general interface between two commercial computer codes, Fluid Dynamics Analysis Package (FIDAP, Fluid Dynamics International, 1997) and Fast Lagrangian Analysis of Continua (FLAC, Itasca Consulting Group, 1995). With this general interface, the two commercial codes have been used, in an iterative and alternative manner, to solve coupled problems between medium deformation, pore-uid ow, heat transfer and reactive mass transport processes in hydrothermal systems. In Chap. 4, a term splitting algorithm is developed for dealing with uid-rock interaction problems that are closely associated with mineral dissolution and precipitation as well as metamorphic processes in uid-saturated hydrothermal/sedimentary basins of subcritical Zhao numbers. In this case, the chemical dissolution fronts are stable during their propagation within the reactive mass transport system. In contrast, a segregated algorithm is proposed, in Chap. 5, for solving chemical-dissolution front instability problems in uid-saturated porous rocks of critical and supercritical Zhao numbers. In this situation, the morphological evolution of chemical dissolution fronts in uid-saturated porous media has been appropriately simulated. In Chap. 6, a decoupling procedure is proposed for simulating uids mixing, heat transfer and non-equilibrium redox chemical reactions in uid-saturated porous rocks. The proposed procedure has been applied to investigate the effects of non-equilibrium redox chemical reactions on the mineralization patterns in hydrothermal systems. In Chap. 7, an equivalent source algorithm is presented for simulating thermal and chemical effects of intruded magma solidication problems. This algorithm has been used to simulate effectively and efciently the thermal and chemical effects of intruded magma in hydrothermal systems. In Chap. 8, the particle simulation method is extended to solve spontaneous crack generation problems in brittle rocks within the upper crust of the Earth. The extended particle method has been applied to simulate spontaneous crack generation associated with faulting and folding in large length-scale geological systems. Finally, some conclusions are given at the end of the monograph.