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Equation-free Modeling
Equation-free modeling is a method for multiscale computation and computer-aided analysis. It is designed for a class of complicated systems in which one observes evolution at a macroscopic, coarse scale of interest, while accurate models are only given at a finely detailed, microscopic, level of description. The framework empowers one to perform macroscopic computational tasks (over large space-time scales) using only appropriately initialized microscopic simulation on short time and small length scales. The methodology eliminates the derivation of explicit macroscopic evolution equations when these equations conceptually exist but are not available in closed form; hence the term equation-free. Introduction In a wide range of chemical, physical and biological systems, coherent macroscopic behavior emerges from interactions between microscopic entities themselves (molecules, cells, grains, animals in a population, agents) and with their environment. Sometimes, remarkably, a coarse ...
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Multiscale Computation
Multiscale modeling or multiscale mathematics is the field of solving problems which have important features at multiple scales of time and/or space. Important problems include multiscale modeling of fluids, solids, polymers, proteins, nucleic acids as well as various physical and chemical phenomena (like adsorption, chemical reactions, diffusion). An example of such problems involve the Navier-Stokes equations for incompressible fluid flow. \begin \rho_0(\partial_t\mathbf+(\mathbf\cdot\nabla)\mathbf)=\nabla\cdot\tau, \\ \nabla\cdot\mathbf=0. \end In a wide-variety of applications, the stress tensor \tau is given as a linear function of the gradient \nabla u. Such a choice for \tau has been proven to be sufficient for describing the dynamics of a broad range of fluids. However, it’s use for more complex fluids such as polymers is dubious. In such a case, it may be necessary to use multiscale modeling to accurately model the system such that the stress tensor can be extracted ...
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Agent-based Model
An agent-based model (ABM) is a computational model for simulating the actions and interactions of autonomous agents (both individual or collective entities such as organizations or groups) in order to understand the behavior of a system and what governs its outcomes. It combines elements of game theory, complex systems, emergence, computational sociology, multi-agent systems, and evolutionary programming. Monte Carlo methods are used to understand the stochasticity of these models. Particularly within ecology, ABMs are also called individual-based models (IBMs). A review of recent literature on individual-based models, agent-based models, and multiagent systems shows that ABMs are used in many scientific domains including biology, ecology and social science. Agent-based modeling is related to, but distinct from, the concept of multi-agent systems or multi-agent simulation in that the goal of ABM is to search for explanatory insight into the collective behavior of agents obe ...
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Holistic Discretization
Holism () is the idea that various systems (e.g. physical, biological, social) should be viewed as wholes, not merely as a collection of parts. The term "holism" was coined by Jan Smuts in his 1926 book ''Holism and Evolution''."holism, n." OED Online, Oxford University Press, September 2019, www.oed.com/view/Entry/87726. Accessed 23 October 2019. While his ideas had racist connotations, the modern use of the word generally refers to treating a person as an integrated whole, rather than as a collection of separate systems. For example, well-being may be regarded as not merely physical health, but also psychological and spiritual well-being. Meaning The exact meaning of "holism" depends on context. Jan Smuts originally used "holism" to refer to the tendency in nature to produce wholes from the ordered grouping of unit structures. However, in common usage, "holism" usually refers to the idea that a whole is greater than the sum of its parts.J. C. Poynton (1987) SMUTS'S HOLISM AND EVO ...
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Adams–Bashforth Method
Linear multistep methods are used for the numerical solution of ordinary differential equations. Conceptually, a numerical method starts from an initial point and then takes a short step forward in time to find the next solution point. The process continues with subsequent steps to map out the solution. Single-step methods (such as Euler's method) refer to only one previous point and its derivative to determine the current value. Methods such as Runge–Kutta take some intermediate steps (for example, a half-step) to obtain a higher order method, but then discard all previous information before taking a second step. Multistep methods attempt to gain efficiency by keeping and using the information from previous steps rather than discarding it. Consequently, multistep methods refer to several previous points and derivative values. In the case of ''linear'' multistep methods, a linear combination of the previous points and derivative values is used. Definitions Numerical methods ...
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Molecular Dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The method is applied mostly in chemical physics, materials science, and biophysics. Because molecular systems typically consist of a vast number of particles, it is impossible to determine the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative erro ...
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Probability Density Function
In probability theory, a probability density function (PDF), or density of a continuous random variable, is a function whose value at any given sample (or point) in the sample space (the set of possible values taken by the random variable) can be interpreted as providing a ''relative likelihood'' that the value of the random variable would be close to that sample. Probability density is the probability per unit length, in other words, while the ''absolute likelihood'' for a continuous random variable to take on any particular value is 0 (since there is an infinite set of possible values to begin with), the value of the PDF at two different samples can be used to infer, in any particular draw of the random variable, how much more likely it is that the random variable would be close to one sample compared to the other sample. In a more precise sense, the PDF is used to specify the probability of the random variable falling ''within a particular range of values'', as opposed ...
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Travelling Wave
In physics, mathematics, and related fields, a wave is a propagating dynamic disturbance (change from List of types of equilibrium, equilibrium) of one or more quantities. Waves can be Periodic function, periodic, in which case those quantities oscillate repeatedly about an equilibrium (resting) value at some frequency. When the entire waveform moves in one direction, it is said to be a ''traveling wave''; by contrast, a pair of superposition principle, superimposed periodic waves traveling in opposite directions makes a ''standing wave''. In a standing wave, the amplitude of vibration has nulls at some positions where the wave amplitude appears smaller or even zero. Waves are often described by a ''wave equation'' (standing wave field of two opposite waves) or a one-way wave equation for single wave propagation in a defined direction. Two types of waves are most commonly studied in classical physics. In a ''mechanical wave'', Stress (mechanics), stress and Strain (mechanics), ...
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Self-similar
__NOTOC__ In mathematics, a self-similar object is exactly or approximately similar to a part of itself (i.e., the whole has the same shape as one or more of the parts). Many objects in the real world, such as coastlines, are statistically self-similar: parts of them show the same statistical properties at many scales. Self-similarity is a typical property of fractals. Scale invariance is an exact form of self-similarity where at any magnification there is a smaller piece of the object that is similar to the whole. For instance, a side of the Koch snowflake is both symmetrical and scale-invariant; it can be continually magnified 3x without changing shape. The non-trivial similarity evident in fractals is distinguished by their fine structure, or detail on arbitrarily small scales. As a counterexample, whereas any portion of a straight line may resemble the whole, further detail is not revealed. A time developing phenomenon is said to exhibit self-similarity if the numeri ...
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Fixed Point (mathematics)
A fixed point (sometimes shortened to fixpoint, also known as an invariant point) is a value that does not change under a given transformation. Specifically, in mathematics, a fixed point of a function is an element that is mapped to itself by the function. In physics, the term fixed point can refer to a temperature that can be used as a reproducible reference point, usually defined by a phase change or triple point. Fixed point of a function Formally, is a fixed point of a function if belongs to both the domain and the codomain of , and . For example, if is defined on the real numbers by f(x) = x^2 - 3 x + 4, then 2 is a fixed point of , because . Not all functions have fixed points: for example, , has no fixed points, since is never equal to for any real number. In graphical terms, a fixed point means the point is on the line , or in other words the graph of has a point in common with that line. Fixed-point iteration In numerical analysis, ''fixed-point i ...
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Periodic Orbit
In mathematics, in the study of iterated functions and dynamical systems, a periodic point of a function is a point which the system returns to after a certain number of function iterations or a certain amount of time. Iterated functions Given a mapping ''f'' from a set ''X'' into itself, :f: X \to X, a point ''x'' in ''X'' is called periodic point if there exists an ''n'' so that :\ f_n(x) = x where f_n is the ''n''th iterate of ''f''. The smallest positive integer ''n'' satisfying the above is called the ''prime period'' or ''least period'' of the point ''x''. If every point in ''X'' is a periodic point with the same period ''n'', then ''f'' is called ''periodic'' with period ''n'' (this is not to be confused with the notion of a periodic function). If there exist distinct ''n'' and ''m'' such that :f_n(x) = f_m(x) then ''x'' is called a preperiodic point. All periodic points are preperiodic. If ''f'' is a diffeomorphism of a differentiable manifold, so that the derivative f ...
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