Questions tagged [simulation]

Simulation is the process of mimicking the behaviour of a real physical process or system using a representative model.

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9
votes
4answers
2k views

Fourier pseudo-spectral method and numerical dissipation

Performing a direct numerical simulation of isotropic turbulence with Fourier pseudo-spectral method (Orzag & Patterson, PRL, 1972) using FFT. For a background of the method, which is widely used ...
2
votes
1answer
213 views

How are collisions detected in simulations?

I want to understand how does the simulation identifies and models when two bodies are colliding with each other. For example car crash simulation. The car moves towards the wall or another crash. ...
10
votes
3answers
832 views

Maximizing unknown noisy function

I'm interested in maximizing a function $f(\mathbf \theta)$, where $\theta \in \mathbb R^p$. The problem is that I don't know the analytic form of the function, or of its derivatives. The only thing ...
3
votes
1answer
150 views

How to add perturbation to a base state in physical grid space?

For study 3D instabilities problem i.e a base state (velocity field and temperature field) and an additional perturbation. The method must be independent of the type of instabilities considered but ...
8
votes
3answers
237 views

How to estimate the impact of small scale on large scale in fluid dynamics?

Assuming that a direct numerical simulation is performed, what is a good method for estimate the impact of small scale on large scale in fluid dynamics ? For example is it pertinent to compare two run ...
5
votes
1answer
849 views

What is the scaling or order of molecular dynamics (MD) simulations?

Often in computational science, we talk about the scaling or order of a particular method ($\mathcal{O}(N)$, $\mathcal{O}(N^2)$, $\mathcal{O}(N \log N)$, etc.). I am having a really difficult time ...
2
votes
0answers
78 views

Can similarity criterion help reducing calculations in Finite Element Analysis (FEA) problems?

Can similarity criterion help reducing calculations in Finite Element Analysis (FEA) problems? I'm using NX (a thermal and CFD simulation software) to simulate the temperature and fluid field of a ...
5
votes
2answers
1k views

Monte Carlo simulation of 3D X-Y model

I need to compute the helicity modulus as a function of temperature for a three-dimensional X-Y model (see N.K. Kultanov, Yu.E. Lozovik, "The critical behavior of the 3D X-Y model and its relation ...
9
votes
1answer
2k views

How to find Lyapunov exponent for coupled system

Answer gives a software for calculating conditional Lyapunov exponent (CLE) for coupled oscillators in chaos synchronization. However, it is hard to follow and there is no graphical output of the ...
7
votes
3answers
806 views

How to handle large numbers of output data sets from a simulation/sensitivity analysis?

Somewhat related, but I think the question is distinct enough to justify a separate question. As a bit of background, I come from a observational/statistical Epidemiology background, working with ...
19
votes
5answers
3k views

Parallel Scientific Computation Software Development Language?

I want to develop a parallel scientific computation software from scratch. I want some thoughts on which language to start. The program involves reading/writing data to txt files and doing heavy ...
15
votes
3answers
7k views

What are the advantages and disadvantages of the particle decomposition and domain decomposition parallelization algorithms?

I am running molecular dynamics (MD) simulations using several software packages, like Gromacs and DL_POLY. Gromacs now supports both the particle decomposition and domain decomposition algorithms. ...
5
votes
2answers
112 views

Are there any QM macromolecule simulation methods that can use an electron density map as input?

I am not an xray crystallographer, but from what I've heard there's often a good deal of guess work and intuition involved in the process of fitting a ball-and-stick molecular model to a crystal-...
30
votes
7answers
2k views

Where do the laws of quantum mechanics break down in simulations?

As someone who holds a BA in physics I was somewhat scandalized when I began working with molecular simulations. It was a bit of a shock to discover that even the most detailed and computationally ...
7
votes
2answers
263 views

Representing charges in computer programming

I'm preparing for a thesis in computer science on calculations based on concepts from Neuroelectrodynamics. In short this theory states, that information transfer is not done by spike time coding, ...

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