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Nessun titolo diapositiva
Nessun titolo diapositiva

... The properties of the system are calculated as ensemble averages or integrals over the configuration space generated For a many particle system the averaging or integration involves many degrees of freedom: as a result only a part of the configurational space must be considered ...
Uniqueness of solutions to the Laplace and Poisson equations
Uniqueness of solutions to the Laplace and Poisson equations

... 6. Why is the Poisson equation with Cauchy boundary conditions ill-posed? In the case of Cauchy boundary conditions (where both u and ∂u/∂n are simultaneously specified on S), the same arguments employed above can again be used to prove that if a solution exists it must be unique. Unfortunately, in ...
3.Constitutive relations for diffusion flux
3.Constitutive relations for diffusion flux

MOLECULAR DYNAMICS BY COMPUTER SIMULATION (*)
MOLECULAR DYNAMICS BY COMPUTER SIMULATION (*)

... electric fields, etc.) and that it attains equilibrium before the calculation of any properties. Even the calculation of transport coefficients by means of time correlation functions referred to in 3.1., assume the system to be in equilibrium when the correlation functions are evaluated. This is jus ...
Differential Equations
Differential Equations

... of an Elastic String a2uxx = utt Wave Equation Let u(x, t) denote the vertical displacement experienced by the string at the point x at time t. If damping effects, such as air resistance, are neglected, and if the amplitude of the motion is not too large, then u(x, t) satisfies the partial different ...
Solubility and Complex
Solubility and Complex

... Fractional precipitation is the technique of separating two or more ions from a solution by adding a reactant that precipitates first one ion, then another, and so forth. ...
Reduction of Sodium Nitrate Liquid Waste in Nuclear Reprocessing
Reduction of Sodium Nitrate Liquid Waste in Nuclear Reprocessing

Capacitor, capacitance, energy stored
Capacitor, capacitance, energy stored

... (b) Instead of a point charge, suppose the charge is spread out over a solid sphere of radius R with uniform charge density ρ . Now Find the electric field everywhere and calculate the 1 r r εo E (r ) dV . Now the result is not infinite. energy stored using U = ...
Chapter 3 Collisions in Plasmas
Chapter 3 Collisions in Plasmas

... Chapter 3 Collisions in Plasmas ...
tut8
tut8

... 24. REASONING AND SOLUTION a. Let d be the distance between the charges. The potential at the point x1 = 4.00 cm to the left of the negative charge is k q1 k q2 ...
Analytic calculation of the nonzero fast wave reflection coefficient
Analytic calculation of the nonzero fast wave reflection coefficient

... equation iteratively, making use of the numerical solutions of Eq. (1). These scattering parameters are expressed in terms of integrals involving h (z), solutions of Eqs. (1) and (2) along the z-axis. It has, been pointed out that odd order derivatives should be added to Eqs. (1) and (2), with a muc ...
dosSantos.pdf
dosSantos.pdf

van der Waals` forces in molecular modeling
van der Waals` forces in molecular modeling

... • In matrix form, the following array depicts these concepts for an N site case, where bold face denotes the vector of parameter sets involved. The boxed elements are the elements that require specification when using mixing rules. Reference :A Generating Equation for Mixing Rules and Two New Mixing ...
Molecular dynamics of proteins - diss.fu
Molecular dynamics of proteins - diss.fu

Absorbing boundary conditions for solving stationary Schrödinger
Absorbing boundary conditions for solving stationary Schrödinger

Today in Physics 217: electric displacement and susceptibility
Today in Physics 217: electric displacement and susceptibility

... ‰ The macroscopic, volume-averaged field, that’s what: an average taken over a size large compared to intermolecular distances in the medium. We should prove this, though (Griffiths problem 3.41 and pp. 173-175). Consider a location r within a dielectric, and a sphere with radius R ( molecular size ...
High-K Dielectrics The Future of Silicon Transistors
High-K Dielectrics The Future of Silicon Transistors

Reducing Parabolic Partial Differential Equations to Canonical Form
Reducing Parabolic Partial Differential Equations to Canonical Form

Lecture 3
Lecture 3

... dx 0 dt  dt  F[ x(t )]  x (0)dx F ( x)  U [ x(t )]  U [ x(0)] nothing but dx change of dx  dt dt ...
Unit 4 Solutions
Unit 4 Solutions

... need to determine the order so that we have ONE AND ONLY ONE precipitate occur each addition, removing one of the cations from the solution. Then ...
Homework # 4
Homework # 4

... planes s and s+p is of the form Cp = A (sin(pk0a)/pa) Where A and k0 are constants and p runs over all integers. Such a form is expected in metals. Use this and Eq. (16a) to find an expression for ω2 and also ∂ω2/∂K is infinite when K=k0. Thus plot ω2 versus K or of ω versus K has a vertical tangent ...
Unit 5 TEST REVIEW ALGEBRA 1a
Unit 5 TEST REVIEW ALGEBRA 1a

Redox Equations
Redox Equations

... Equation 1 represents the combining of the salts potassium bromide solution and a silver nitrate solution to form a precipitate of insoluble silver bromide, leaving potassium nitrate in solution. The only change that occurs is that ions trade places, forming an insoluble compound. This reaction is a ...
4 Fun with boundary conditions
4 Fun with boundary conditions

... condition. Program two cases: 1) the case in which you implement the BC directly, and 2) a case in which you use the fictious boundary point method. Computes the steady-state geotherm in a lithosphere of 100 km thickness, that has a constant temperature at the top (T = 0◦ C) and a constant gradient ...
prenta-predstavitev
prenta-predstavitev

< 1 2 3 4 >

Biology Monte Carlo method

Biology Monte Carlo methods (BioMOCA) have been developed at the University of Illinois at Urbana-Champaign to simulate ion transport in an electrolyte environment through ion channels or nano-pores embedded in membranes. It is a 3-D particle-based Monte Carlo simulator for analyzing and studying the ion transport problem in ion channel systems or similar nanopores in wet/biological environments. The system simulated consists of a protein forming an ion channel (or an artificial nanopores like a Carbon Nano Tube, CNT), with a membrane (i.e. lipid bilayer) that separates two ion baths on either side. BioMOCA is based on two methodologies, namely the Boltzmann transport Monte Carlo (BTMC) and particle-particle-particle-mesh (P3M). The first one uses Monte Carlo method to solve the Boltzmann equation, while the later splits the electrostatic forces into short-range and long-range components.
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