S.A.
1)
1 Gorbunov ,
N.A.
2)
2 Medvedev ,
R.A.
3 Rymzhanov ,
3)
P.N.
4 Terekhin ,
A.E.
1,3,4 Volkov*
4) NRC Kurchatov Institute, Moscow, Russia
Sn / Se < 0.01
Electronic Nuclear
Ti = div( i Ti ) t
MD simulations
Electron-lattice coupling [2]: Cooling down time of electrons is much shorter than the atomic vibration time:
102
104 E, keV
106
108
Rd
pi i 2m
U ( {q i } )
Heat Front
L~ 100 m 10-17 s 10-16 s 10-15 s 10-14 s 10-13 s 10-9 s
> 10-9 s
Equilibrium
Wave equation or MD simulations must be used instead:
Cattaneo wave equation of heat propagation:
(k) ~ k, (k<</a)
1. Initial electronic excitations 2. Plasmon screening 3. Thermalization of electrons 4. Cooling down of electrons 5. Energy transfer to lattice 6. Track cooling down
Marek Skupinski (Uppsala)
Tkin T T = = conf
Atomic system cannot be described by equilibrium temperature on sub-picosecond scale [2]
7. Stress relaxation
T 1 T K 1 T + r =0 2 t t C r r r
2
Lattice excitation
Molecular Dynamics (MD) tracing atomic of the trajectories Monte-Carlo (MC) simulations of the initial electronic kinetics [5]
2
SHI passage Nonequilibrum electron kinetics, secondary ionizations, Auger decays Spatial spreading of electrons, energy exchange with lattice
nm
20 0 -20 -40
t = 10-15 s 10-11 s
Electron-lattice coupling is described via DSF [4]:
1 - accounts for plasmons el k 2 ~ V (k ) Im - valence band and deep shell scattering E n e (k , ) - is extracted from experiments
2
CDF [3,5,6]
nm 40
ion 2 kf ~ V (k ) Sion (k , ) ki E
2
2
DSF [2-4]
- satisfies both limits: phonons and plasma - gives realistic descriptions
Electron-lattice coupling:
, t) G ( r=
1 (r + Ri (0) R j (t )) N i , j =1
N
ki ion Q ~ fk i (1 fk f ) dk i dk f k f f E f
Calculated electron inelastic mean free path in olivine agrees well with NIST database [7]
5000 4000
SRIM 2011 CasP 5.0 Calculated
Temperature of electrons and the kinetic temperature of the lattice (1 nm < R < 1.5 nm )
Ionic Kinetic T emperature, ( K)
312,0 377,3
dE/dx (eV/A)
3000 2000
Electrons thermalize with the lattice within 100 fs Lattice heating up to 800 K by 2 GeV Au
0,000 862,5 1725 3450
800
700
600
500
400
300
2
50000
6900 1,380E+04
Electronic te mperature
1000 0 10
40000
100
1000
10000
20000
10000
nm
75
100
Tim e, fs
Energy (MeV) Calculated SHI energy losses in olivine agree with SRIM [9] and CasP codes
0 0
25
Rad ius,
50
Lattice termalization within 200fs Further cooling down of the lattice due to spatial heat dissipation
Conclusions
1) A multiscale microscopic model describing quantitatively all stages of excitation of an insulator (olivine) in a SHI track. 2) The Complex Dielectric Function formalism provides with reliable cross-sections, mean free paths, and energy losses of a SHI and electrons. 3) The Dynamic Structure Factor formalism describes electron-lattice coupling beyond the phononic approximation. A general model linking both, phonon and plasma limit cases is developed. 4) Estimations of lattice excitation in solid olivine indicates heating up to 800 K after 2 GeV Au ion impact.
* Corresponding author: a.e.volkov@list.ru
References
[1] V.P. Lipp, A.E. Volkov, M.V. Sorokin, B. Rethfeld, NIMB 269 (2011) 865 [2] A.E. Volkov, V.A. Borodin, NIMB 146 (1998) 137 [3] S.A. Gorbunov et al., Phys. Stat. Sol. C, 10 (2013) 697 [4] L. van Hove, Phys. Rev. 95 (1954) 249 [5] N. Medvedev, R. Rymzhanov A.E. Volkov, NIMB (2013 in press) [6] R.H. Ritchie, A. Howie, Philos. Mag. 36 (1977) 463 [7] C.J. Powell, A. Jablonski, NIST Database 1.2 (2010)
Au ion in Olivine
Rad ius,
4
30000
(nm )
Tim e, (ps )