Numerical Simulation of a Polywell

Discuss the technical details of an "open source" community-driven design of a polywell reactor.

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Postby scareduck » Fri May 22, 2009 4:03 am


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Postby MSimon » Fri Jun 05, 2009 6:23 am


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PARSEC - Density functional theory

Postby BenTC » Tue Jun 09, 2009 7:07 am

greetings all,

I've be lurking for a short while. Didn't have much to contribute but found it all very interesting and hopeful. I just bumped into some simulation software that might be interesting, though its beyond my ability to know how suitable it is. Perhaps too fine grained but it seems to deal somewhat with many-bodied electron and atom interactions in electrostatic and electromagnetic fields.

Rather than repeat these, the description is here...
http://parsec.ices.utexas.edu/about/index.html
http://en.wikipedia.org/wiki/PARSEC

The interesting thing I note from http://en.wikipedia.org/wiki/Density_functional_theory is that:
+ quantum mechanical theory used in physics and chemistry to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases.
+ the properties of a many-electron system can be determined by using functionals, i.e. functions of another function, which in this case is the spatially dependent electron density.
+ generalizations to include magnetic fields


or perhaps http://en.wikipedia.org/wiki/Time-depen ... nal_theory is more appropriate:
+ quantum mechanical theory used in physics and chemistry to investigate the properties and dynamics of many-body systems in the presence of time-dependent potentials, such as electric or magnetic fields.
for which http://www.tddft.org/ links to some simulation software

cheers, Ben
In theory there is no difference between theory and practice, but in practice there is.

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Postby Indrek » Tue Jun 09, 2009 11:15 pm


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APE - Relativistic Density Functional Theory

Postby BenTC » Wed Jun 10, 2009 12:20 am

> Do you know why electrons don't fall into the nucleus of the atom
Similarly, why don't the positive ions combine with the electrons in the centre. You could look at the mass of the electrons in the centre of the Polywell as one big atom, with other atoms wizzing by. Perhaps some condensed matter approximations could work (not that I know anything about it.) Though that analogy doesn't hold up completely when the ions go wizzing through the middle of the "atom".


I read this about pseudopotentials (wikipedia)...
The pseudopotential is an attempt to replace the complicated effects of the motion of the core (i.e. non-valence) electrons of an atom and its nucleus with an effective potential, or pseudopotential, so that the Schrödinger equation contains a modified effective potential term instead of the Coulombic potential term for core electrons normally found in the Schrödinger equation. In this approach only the chemically active valence electrons are dealt with explicitly, while the core electrons are 'frozen', being considered together with the nuclei as rigid non-polarizable ion cores.

Indrek, I think it was your simulation that showed a single electron moving in a polywell. Very interesting how it wandered around. With a large mass of eelctrons gathered in the centre, I would imagine that all the electrons bump off one another and don't actually move very far individually. My idea is that for the mass of electrons in the centre, within a certain shell radius, treat them as a single group, and statistically along the surface of the shell, electrons pop out such that they can be treated like valence electrons to interact with the magnetic fields. The probability would be different at different points of the shell due to the cusps.


> Our particles are zooming so fast around that we can pretty much ignore quantum mechanics.
So then this caught my eye int he manual at http://www.tddft.org/programs/APE/
APE is a computer package designed to generate and test norm-conserving pseudo-potentials within Density Functional Theory. The generated pseudo-potentials can be either nonrelativistic, scalar relativistic or fully relativistic and can explicitly include semi-core states. A wide range of exchange-correlation functionals is included.

When performing atomic calculations APE can solve either the Kohn-Sham equations, the Dirac-Kohn-Sham equations or the scalar-relativistic Khon-Sham equations. Valid options are:
+ schrodinger: Kohn-Sham equations.
+ dirac: Dirac-Kohn-Sham equations.
+ scalar_rel: scalar-relativistic Kohn-Sham equations.


- Ben
In theory there is no difference between theory and practice, but in practice there is.

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Postby BenTC » Wed Jun 10, 2009 12:35 am

In theory there is no difference between theory and practice, but in practice there is.

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Postby MSimon » Wed Jun 10, 2009 3:53 am


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Tayloe low noise detector

Postby BenTC » Thu Jun 11, 2009 2:58 pm

I had not heard of the Tayloe detector. I guess you mean . Very interesting concept. Its been 15 years since I've done quadrature math but the generalised concept is still there. I'll file it for later reference. Thanks.
In theory there is no difference between theory and practice, but in practice there is.

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Re: Tayloe low noise detector

Postby MSimon » Thu Jun 11, 2009 3:24 pm


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Postby MSimon » Thu Jun 11, 2009 3:54 pm



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