Difference between revisions of "Projects"

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! rowspan="2" | Element
 
! rowspan="2" | Element
 
! colspan="4" | Convergence Parameters
 
! colspan="4" | Convergence Parameters
−
! rowspan="2" | Relaxed Lattice Parameter
+
! rowspan="2" | Relaxed Lattice Parameter <br /> ''a''<sub>0</sub> (&Aring;)
−
! rowspan="2" | ''E''-''V'' Equation of State
+
! colspan="4" | ''E''-''V'' Equation of State
−
! rowspan="2" | Phonon Bands
+
! rowspan="2" | Phonon Frequency Bands<br/> ''&omega;''<sub>max</sub> (THz)
 
|-
 
|-
 
! ''E''<sub>cut, ''ψ''</sub> (Ry)
 
! ''E''<sub>cut, ''ψ''</sub> (Ry)
Line 13: Line 13:
 
! ''σ'' (Ry)
 
! ''σ'' (Ry)
 
! ''N''<sub>'''k''', ''i''</sub>  
 
! ''N''<sub>'''k''', ''i''</sub>  
 +
! ''E''<sub>0</sub> (eV)
 +
! ''V''<sub>0</sub> (&Aring;<sup>3</sup>/atom)
 +
! ''K''<sub>0</sub> (GPa)
 +
! ''K''&prime;
 
|-
 
|-
 
| [[Platinum | Pt]]
 
| [[Platinum | Pt]]
 
| 90
 
| 90
−
| Set up
+
| 360
 +
| 0.003
 +
| 26
 +
|
 
|
 
|
 
|
 
|
Line 25: Line 32:
 
| [[Iridium | Ir]]
 
| [[Iridium | Ir]]
 
| 130
 
| 130
−
| Set up
+
| 520
 +
| 0.003
 +
| 27
 +
|
 
|
 
|
 
|
 
|
Line 33: Line 43:
 
|-
 
|-
 
| [[Titanium | Ti]]
 
| [[Titanium | Ti]]
−
| Set up
+
| 150
 +
|
 +
|
 +
| 13
 
|  
 
|  
 
|
 
|
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|
 
|
 
|}
 
|}
 +
 +
==Integrated Physics Education==
 +
[[Undergraduate Physics Degree Program]]

Latest revision as of 12:19, 26 July 2024

Platinum-Iridium-Titanium

Element Convergence Parameters Relaxed Lattice Parameter
a0 (Å) 		E-V Equation of State Phonon Frequency Bands
ωmax (THz)
Ecut, ψ (Ry) Ecut, ρ (Ry) σ (Ry) Nk, i E0 (eV) V0 (Å3/atom) K0 (GPa) K′
Pt 90 360 0.003 26
Ir 130 520 0.003 27
Ti 150 13

Integrated Physics Education

Undergraduate Physics Degree Program

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