Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS...
-
date post
22-Dec-2015 -
Category
Documents
-
view
214 -
download
2
Transcript of Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS...
![Page 1: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/1.jpg)
Brent FultzProf. Materials Science and Applied Physics
California Institute of Technology
• ARCS Project• Inelastic Scattering• Scope of Software Project• Project Management • Project Status
![Page 2: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/2.jpg)
/Users/btf/ARCS/arcs.swf
![Page 3: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/3.jpg)
ARCS Project Budget
Hardware: 10.0 M$
Contingency: 2.0 M$
Software: 2.9 M$
Software effort is 0.58 M$/year postdoctoral fellows, graduate students, professionalsA relatively small amount for hardware
![Page 4: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/4.jpg)
Software Engineering -- Scope and Style
• Data Stream and Component Design
• Server/Client Development (GUI)
• Platform and OS Support
• Work on NeXus
• Doing Python/C++ by hand
• CVS Repository, Documentation, www
![Page 5: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/5.jpg)
Scientific Scope
• Data Reduction -- traditional approach to S(Q,E)
• Model Calculations of S(Q,E)
• Simulations of Data
• Interactions of Above
![Page 6: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/6.jpg)
Diffraction: (coherent, elastic)
![Page 7: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/7.jpg)
Dynamics in space and time
![Page 8: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/8.jpg)
Diffraction misses the time dependence
![Page 9: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/9.jpg)
(incoherent, inelastic) vs. (coherent, inelastic)
![Page 10: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/10.jpg)
Diffraction E=0
F[I(Q)] = P(r)
![Page 11: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/11.jpg)
Inelastic
F F [I(Q,E)] = Γ(r, )tQE
![Page 12: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/12.jpg)
Software Roadmap v. 1.0
![Page 13: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/13.jpg)
Data Reduction
• Account for incident flux• Remove background• Convert from time to energy• Correct for detector efficiency• Bin into rings of constant scattering angle• Convert from angle to momentum • Subtract multiphonon and multiple scattering• Correct for absorption
![Page 14: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/14.jpg)
Baseline Simulations for the ARCS Project.
1. Lattice dynamics with a Born--von Karman model (periodic structure)
2. Spinwave dynamics with a Heisenberg hamiltonian on a periodic structure
3. Lattice dynamics on a disordered structure, using a moments analysis of the dynamical matrix
4. Spin dynamics in a paramagnetic model
![Page 15: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/15.jpg)
Crystal model C1XX, C1XY…
Calculate force constant matrix Phi_{alpha beta}(0 l_ kappa kappa_)
Sweep reciprocal space
End?
Calculate dynamical Matrix D(q)
Diagonalize D(q)
Update DOS histogram
Output DOS
Powell minimization of force-constantsguess
Compare with experimental DOS
RMS Converged
?
Powellminimize
n
yOuput
f.c.
![Page 16: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/16.jpg)
Milestones
Software Baseline Design January, 2003
Software First Build July, 2004
Software Beta Release March, 2005
Software Release 1.0 February, 2006
End ARCS Project September, 2006
![Page 17: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/17.jpg)
Software Development
![Page 18: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/18.jpg)
Software Project Schedule
![Page 19: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/19.jpg)
Data Reduction
• Account for incident flux• Remove background• Convert from time to energy• Correct for detector efficiency• Bin into rings of constant scattering angle• Convert from angle to momentum • Subtract multiphonon and multiple scattering• Correct for absorption
![Page 20: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/20.jpg)
Suggestions for Planning a Sub-Project
1. Users Input (use telephone)
2. Use a Workshop to Prioritize Tasks
-- Cannot neglect standard approaches
-- Vision for new approaches is important and fun
3. Select P.I. (the workshop coordinator?)
4. Sub-Proposal in the next month or so…
![Page 21: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/21.jpg)
End of Presentation
![Page 22: Brent Fultz Prof. Materials Science and Applied Physics California Institute of Technology ARCS Project Inelastic Scattering Scope of Software Project.](https://reader030.fdocuments.in/reader030/viewer/2022032523/56649d805503460f94a65009/html5/thumbnails/22.jpg)
ARCS Hardware Project