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IntroductionIntroduction to to densedensequantumquantum plasmasplasmas
Michael BonitzInstitut für Theoretische Physik und Astrophysik
Christian-Albrechts-Universität zu Kiel
Summer Institute „Complex Plasmas“, Stevens Tech, 6 August 2008
PlasmaPlasma
I. Langmuir/L. Tonks (1929): ionized gas - „plasma“„4th state of matter“: solid fluid gas plasma
ideal hot classical gasmade of electrons and ions
BUT: there exist unusual plasmas which- are „non-ideal“, - are non-classical- may contain other particles
= System of many charged particles, dominated by Coulomb interaction
ContentsContents
1. Introduction: Examples of nonideal quantum plasmas
2. Theoretical approaches to quantum plasmas
3. Computer simulations of quantum plasmas
- low temperature: partially ionized plasmas
- high density: quantum plasmas in the universe and lab
- thermodynamics, ionization equilibrium- kinetic theory
- brief overview on existing approaches
• low temperature: partially ionized quantum plasmas
• high density: quantum plasmas in the universe and lab
1. Introduction: Examplesof nonideal quantum plasmas
• nonideal plasmas
Electron density, 1/ccm
Tem
pera
ture
, eV
KeV 4101 ≅
Lightning
Lightning
Magnetic FusionMagnet fusion
SunSun core
Inertial FusionICF
Dusty Dusty PlasmasPlasmas
Plasmas Plasmas in trapsin traps
Plasmas in Plasmas in thethe UniverseUniverse and Laband Lab
300K
Further exist strongly correlated plasmas
WhenWhen isis a a plasmaplasma nonidealnonideal ??Ideal gas behavior of electrons and ions: when Coulomb interaction energy U
is much smaller than kinetic energy K
TNkK B23
=In thermodynamic equilibrium:
∑≠ −
=ji ji
ji
rree
U||2
1
Estimate mean interaction energy: 3/1−∝≡− nrrr ji3/1
2
nreU ∝∝
Degree of nonideality:T
nkTre
KU 3/12||
∝∝=Γ
Nonideal behavior at low temperature or high density
CorrelationCorrelation effectseffects in in classicalclassical plasmasplasmasCoulomb Interaction: rqrU /)( 2=
StrongCoulomb
correlations
1=Γ
TknqTkU
BB
dim/12/ ∝⟩⟨≡ΓCoupling parameter:
175=Γ
Coulomb crystal (OCP)
• low temperature: partially ionized quantum plasmas
• high density: quantum plasmas in the universe and lab
1. Introduction: Examplesof nonideal quantum plasmas
• nonideal plasmas
LetLet usus cool a cool a plasmaplasma
TknqTkU
BB
dim/12/ ∝⟩⟨≡Γ1. Effect: increase of nonideality
2. Effect: electrons become trapped by ionsformation of atoms: e+i Apartially ionized plasma
Further cooling: atoms recombineformation of molecules(neutral gas)
Further cooling: atomic/molecular gas undergoesphase transition(s) to liquid or solid matter
Plasma? Yes: electrons form a plasma (metals) or e-hole plasma (dielectrics)electrons, holes behave as quantum plasma
Atoms, molecules,Condensed matter
require quantummechanics
CorrelationCorrelation effectseffects in in classicalclassical plasmasplasmasCoulomb Interaction: rqrU /)( 2=
1=Γ
TknqTkU
BB
dim/12/ ∝⟩⟨≡ΓCoupling parameter:
175=Γ
Coulomb crystal (OCP)
Two-CP: bound stateformation
Binding energy
SummarySummary: Quantum matter at : Quantum matter at lowlow TT
A. Partially ionized plasma: e-i plasma (classical or quantum) with additional neutral particles (atoms, molecules)
B. Neutral gas or liquid of atoms, molecules(no plasma) requires quantum mechanics
electron-orbitals in hydrogen [Wikipedia]
C. Crystals- lattice of ions plus quantum plasmaof electrons („electron gas“)
- insulators, semiconductors: upon exci-tation formation of quantum plasma of electrons and holes
D. Additional quantum plasma states occurat densities around/above solid density(see below)
Electron density, 1/ccm
Tem
pera
ture
, eV
KeV 4101 ≅
JupiterPlanet coresLightning
Lightning
Magnetic FusionMagnet fusion Inertial FusionICF
Metals
Semiconductors
Dusty Dusty PlasmasPlasmas
Plasmas Plasmas in trapsin traps
QuantumQuantum Plasmas in Plasmas in thethe UniverseUniverse and Laband Lab
300K
Partially ionizedquantum plasmas
Quantum Fermi plasmas
WhenWhen isis a a plasmaplasma „„quantumquantum““ ??Quantum wave length („extension“) of a particle (De Broglie):
mvh
=λ
depends on particle mass and velocity
Is an electron a quantum or classical particle ???
Depends on the neighboring „particle“!i.e. on ratio of size to distance
r λIs a person a quantum or classical „particle“ ???
Tmkh Bπλ 2/=Example: thermodynamic equilibrium:
Electron
][10 7
KTm−∝λ
Person (100kg)
mKT ][
1010 167 −−∝λ
Particles are quantum if r≥λ
Quantum Quantum degeneracydegeneracy
transform ratio of length scales to densities: 31
rn ∝
Define quantum degeneracy parameter (dimensionless) :12
3
+=
snλχ
Classical plasma: 1<χ
Quantum plasma: 1>χ
CorrelationCorrelation andand Quantum Quantum effectseffectsCoulomb Interaction: reerU baab /)( =
TkU B/⟩⟨≡Γ
StrongCoulomb
correlations
1=ΓDeBroglie
wave length
Tmkh Bπλ 2/=
r
Overlapof wave functions,
Spin effects
Quantum effects
λ
r=λ
13 == λχ n
175=Γ crystal
• low temperature: partially ionized quantum plasmas
• high density: quantum plasmas in the universe and lab
1. Introduction: Examplesof nonideal quantum plasmas
• nonideal plasmas
LetLet usus compresscompress a a plasmaplasma
1. High-density plasmas in nature: - Interior of Jovian planets (Jupiter, Saturn):
Hydrogen/helium plasma with density up to 32410 −= cmn
- Core of white and brown dwarf stars: 32826 10...10 −= cmn
- neutron stars: (?)10...10 33428 −= cmn
2. High-density plasmas in the laboratory: compression byA. „Traditional methods“: reach
- diamond envils- pinch effect: high current through wires, explosion- launch of shock waves into matter - explosions in chambers
32410 −∝ cmn
Example: plasma compression for inertial confinement fusion
B. Use novel high energy sources: laser or ion beams
WhatWhat happenshappens to to atomsatoms at high at high compressioncompression? ?
Effect 1: Destabilization of atom in plasma environment:- Screening of e-i attraction, reduced binding energy(ionization potential) many-body effect
Effect 2: Overlap of two atoms (electron wave functions) at high n:Tunneling of electrons from one atom to anotherquantum destabilization, tunnel (pressure) ionization of atoms, „Mott effect“at densities corresponding to 32410.., −≅∝ cmneiar B
Both effects occur simultaneously, are equally important
Both effects occur even at zero temperature,Temperature increase helps to destroy atoms, molecules
Mott Effect. Pressure IonizationIdeal Plasma Non ideal Plasma
Lowering of the continuum edge due to screening and quantum effectsreduces number and ionization energy of bound statesvanishing distinction between free and bound states
PartiallyPartially ionizedionized HydrogenHydrogen
1st principle direct path integral Monte Carlo Simulations (V. Filinov, MB)Spontaneous arrangement of electrons and protons (hydrogen)
Hydrogen conductivity(experiment) in cm/ohm
410
210
010
210 −
210 − 010410 − 410
Nellis et al.
+ Fortov et al.
T=3,000-10,000KExistence of an insulator-metal transition?
Nonideal plasma: reduced current conduction: due to Coulomb interaction and bound state formation
Ideal plasma: conductivity increases with density of charged particles
Electron density, 1/ccm
Tem
pera
ture
, eV
KeV 4101 ≅
JupiterPlanet coresLightning
Lightning
Magnetic FusionMagnet fusion Inertial FusionICF
Metals
SemiconductorsDwarfstars
Dusty Dusty PlasmasPlasmas
Plasmas Plasmas in trapsin traps
QuantumQuantum Plasmas in Plasmas in thethe UniverseUniverse and Laband Lab
300K
Neutronstars
WhatWhat happenshappens to to thethe plasmaplasma uponuponfurtherfurther compressioncompression? ?
At densities above the Mott point: fully ionized e-i plasma
32410 −≥ cmn
? Question1: Is this plasma classical or quantum?
? Question 2: Is this plasma ideal or nonideal?
Answer 1: Electrons are degenerate (at not too high temperature) 1>>χ
Answer 2: Recall coupling parameterT
nkTre
KU 3/12||
∝∝=Γ
But: this is a classical result, not applicable here!
KineticKinetic energyenergy and and couplingcoupling parameterparameter of of quantumquantum particlesparticles
Coupling (Brueckner) parameter:
3/1
2 1||nEr
erKU
Fs ∝∝=
Electrons are fermions (spin s=1/2) and obey the Pauli principleeach quantum state occupied only by single electronAdding electrons increases (kinetic) energy even when interaction is neglected
Highest occupied level: Fermi energy
( ) 3/23/2
126
222 nE smF += πh
Kinetic energy/N and pressure:
F
F
EpVnEK
52
3/253
=
∝=
Fermions Bosons
With increasing density quantum plasmabecomes ideal!
CorrelationCorrelation andand Quantum Quantum effectseffectsCoulomb Interaction: reerU baab /)( =
TkU B/⟩⟨≡Γ
StrongCoulomb
correlations
1=ΓDeBroglie
wave length
Tmkh Bπλ 2/=
r
r=λOverlap
of wave functions, Spin effects
Quantum effects
λ
13 == λχ n
175=Γ1=sr
100≅sr
crystal
BFs arEUr // ∝⟩⟨≡
- Fermi Energy Ba - Bohr RadiusFE
DenseDense twotwo--componentcomponent plasmasplasmas (1)(1)
Ion-electron mass and charge ratio: M=2,000, … 100,000; Z=1, … 92 (Uranium)
Brueckner parameter of component „a“:3/1
222||
a
a
Faa
asa
a
aa
nZ
EreZr
KU
∝∝=
2/1
3
)2(,
12 aaa
a
aaa kTm
hs
nπ
λλχ =+
=Degeneracy of component „a“:a=e, i
a
aa
aa
a
a
aaa T
nZkTr
eZKU 3/1222||
∝∝=ΓClassical coupling of component „a“:
Charge neutrality leads to restriction: Znn ie =
DenseDense twotwo--componentcomponent plasmasplasmas (2)(2)
1. Low density/high T: electrons and ions classical
2. High density/low T: electrons and ions quantum
2/3
112
2,1MZsi
eie ⋅×
+=⋅=>>>> βχβχχ
3. Intermediate density range: electrons quantum, ions classical
for an electron-proton plasma000,801
==e
i
χχβ
in this density range electrons may be weakly coupled (small r_s) and ions may be strongly coupled (large Gamma)
for example: formation of an ion crystal embedded into an electron Fermi gas
Crystals Crystals in in massmass--asymmetricasymmetric plasmasplasmasCoulomb Interaction: reerU baab /)( =
aaaa TkU B/⟩⟨≡Γ BaFaaasa arEUr // ∝⟩⟨≡Ba - Bohr Radius
StrongCoulomb
correlations
1=Γ
Tkmh Baa πλ 2/=
r
ee r=λ
13 == eee n λχ
175=Γ1=sr
100≅sr
crystal
Atoms, molecules(neutrals)
pp r=λ
100≅spr proton crystal&
Electron gas
Pressure ionization
neutronstar
White dwarf
T = 10,000 K, n = 3⋅1025 сm-3, ρ = 50.2 g/сm3
Filinov, Bonitz, Fortov, JETP Letters 72, 245 (2000)
- proton- electron
- electron
Proton crystallization in dense HydrogenProton crystallization in dense Hydrogen
1st-principlePath integralMonte Carlo simulation
White White dwarfdwarf starstar
D. Schneider, LLNL
classicalfluid and crystalin „quantum sea“of electrons
Size~our EarthMass~our Sun
density:
ERDEρρ 610≅
Crystals in Crystals in twotwo--componentcomponent (TCP) (TCP) CoulombCoulomb systemssystems
Known examples: 1. Ion crystals in white dwarf stars, crust of neutron stars2. Dusty plasmas, expanding neutral plasmas
WhatWhat isis thethe relationrelation betweenbetween 1. and 2.? Do 1. and 2.? Do otherother TCP TCP crystalscrystals existexist ??
Re E
kTT23
=3/11 n
ra
r e
B
se
∝=
Hole crystal in semiconductors
proton crystal
Bonitz, Filinov, Levashov, Fortov, Fehske, Phys. Rev. Lett. 95, 235006 (2005)
ConditionsConditions forfor TCPTCP CoulombCoulomb crystalscrystals
Necessary: I. strong hole coupling (OCP): )3(100,175 Drr crssh
crh ≅≥≅Γ≥Γ
II. no Coulomb bound states:
h
e
e
h
e
h
TT
qqZ
mmM =Θ== ,,
Relevant parameters: mass, charge and temperature asymmetry
Typical for ion/dust crystal: 100...1,10...1,10...10 5124 =Θ== ZM
2.1/ ≅≤= MottsBese rarr
1)(
)(3/4
−=≥e
Motts
crs
ecr
TrZrTMM
ResultsResults
• Critical mass ratio:
• Maximum temperature:cr
scr
R
eB
rMZ
ETk
Γ+Θ
=)1(4
2
PredictedPredicted parametersparameters of of TCP TCP CoulombCoulomb crystalscrystals
][ 3max
−cmn ][max KT
Protons(hydrogen)
Semiconductors(M=100)
][ 3min
−cmn
+6O Ions(white dwarfs)
91026102 ⋅ 33106.3 ⋅
24105⋅ 28100.1 ⋅ 000,66
0.920102.1 ⋅ 20101.2 ⋅
Phase Phase diagramdiagram of of TCP TCP CoulombCoulomb crystalcrystal
Bonitz, Filinov, Fortov, Levashov, and Fehske, Phys. Rev. Lett. 95, 235006 (2005)
Re E
kTT23
=3/11 n
ra
r e
B
se
∝=
11++
= crMMK
Θ= 2
1Z
α
)2(60),3(83 DDM cr =• for Z=1 (e.g. electron-hole plasma):
WhatWhat happenshappens to to thethe ee--i i plasmaplasma uponuponeveneven furtherfurther compressioncompression? ?
At densities above the ion crystal melting: Quantum plasma of electrons and bare nuclei
32810 −≥ cmn
Further compression: overlap of neighboring nucleiPressure dissociation: disintegration of nuclei into free protons, neutrons
Overall Coulomb potential energy U (e-e, p-p, e-p) negativeFavors collaps of all particlesavoided because kinetic (Fermi) energy increases more rapidly than U(r_s decreases with n) Pauli principle stabilizes matter!
Neutron Neutron starstarcrystal and quantum fluidof nuclei
in „quantum sea“of electrons
radius~10kmmass~ our Sun
31510 −≅ cmgρ
Source: Coleman, UMD
WhatWhat happenshappens to to thethe ee--pp--n n plasmaplasma uponuponeveneven furtherfurther compressioncompression? ?
Further compression of quantum electron-proton-neutron plasma:Overlap of neighboring baryons: pressure dissociation into 3 quarks plus quanta of their (strong) interaction – gluonsQuark-gluon plasma
Source: RHIC web site
Does this have any practicalrelevance??
Astrophysicists believe: the whole Universe was in the state of quark-gluon
plasma shortly after the „Big Bang“!
The evolution of the whole Universe since then depends on the properties of the quark-gluon plasma
After After thethe bigbig bangbang
Source: RHIC web site
Can one verify this experimentally ?
To produce a quark-gluon plasma huge densities and particle energies are needed
Big particle colliders in the U.S. and Europe
It is believed that of the quark-gluon plasma has been seenat RHIC (Relativistic Heavy Ion Collider)
Is this of interest for plasma phyics ?
In the quark-gluon plasma Coulomb interaction plays a crucial role
Experiments at RHIC indicate that theQGP is strongly nonidealExperience from plasma physics, nonideal plasmasbecomes crucial for high-energy physics and astrophysics!
ContentsContents
1. Introduction: Examples of nonideal quantum plasmas
2. Theoretical approaches to quantum plasmas
3. Computer simulations of quantum plasmas
- low temperature: partially ionized plasmas
- high density: quantum plasmas in the universe and lab
- thermodynamics, ionization equilibrium- kinetic theory
- brief overview on possible approaches
2.1. 2.1. ThermodynamicThermodynamic theorytheory of of partiallypartially ionizedionized plasmasplasmas
High-density plasmas in the Interior of Jovian planets (Jupiter, Saturn)
Hydrogen/helium plasma with total electrondensity of up to
32410 −= cmn
Thermodynamic and transport properties depend on how many electronsare free and how many are bound in atoms, molecules, i.e. on the degree of ionization, the plasma chemical composition.
There exist two approaches: 1. chemical models and 2. Physical models (mostly computer simulations)
Chemical Models of partially ionizeddense Plasmas (1)
Example: partially ionized and dissociated hydrogen: e, p, H, H_2
2HHHHpe
↔+↔+
22 HH μμ =
Hpe μμμ =+
I. Starting point: Choice of relevant particle species
inta
idaa μμμ +=II. Chemical potentials:
⎥⎦
⎤⎢⎣
⎡
+=
12ln
3
a
aaa s
nkT λμ
Ideal part: a) classical particles:
11)2( )],([
04
122/332
+= −
∞+ ∫ aa
anTE
saa e
EdEmn μβπ h
ii) quantum particles (fermions):
Basis: Quantum statistical theories, integral equations etc.
III. Interaction contributions of chemical potentials- charged particle interactions: e-e, e-p, p-p - neutral particle interactions: H-H, H2-H2, H-H2 - charged-neutral particle interactions:
Chemical Models of partially ionizeddense Plasmas (2)
Chemical composition:
Percentage of ionized, atomicand molcular hydrogen(proton number fraction)
Schlanges, Bonitz, Chjan, Contrib. Plasma Phys. 35, 109 (1995)
Mass action law (Saha equation): )(1 intintint2/1~),( HpeB eeenTK
nn EI
A
i μμμββ −+−−=
For more details see book: Kremp et al., „Quantum Statistics of charged particles“,Springer 2003
Maxwell construction coexistence pressure and 2 stable phases
, phase transitions
Chemical Models of partially ionizeddense Plasmas (3)
Problems:
- inconsistent treatment of chargesand neutrals (serious at Mott point)
- subdivision in free and boundparticles artificial!
- Exclusion of particles other thanchosen in the beginning
These problems are avoided in the „physical picture“, e.g. in quantum Monte Carlo simulations.
2.2 2.2 KineticKinetic TheoryTheory forfor quantumquantum plasmasplasmas (1)(1)
Classical plasma Quantum plasma
N-particle probability density (x=r,p):
∫ =1...),,...( 11 NNNN fdxdxxxf
Liouville equation:
0},{ =−∂∂
NNN fHft
With Poisson brackets:
∑=
⎟⎟⎠
⎞⎜⎜⎝
⎛∂∂
∂∂
−∂∂
∂∂
=N
i N
N
N
N
N
N
N
NNN r
fpH
pf
rHfH
1},{
N-particle density operator
1ˆ,ˆ ...1 =NNN Tr ρρ
Von Neumann equation:
[ ] 0ˆ,ˆ1ˆ =−∂∂
NNN Hit
ρρh
With commutator:
abbaba ˆˆˆˆ]ˆ,ˆ[ −=
KineticKinetic TheoryTheory forfor quantumquantum plasmasplasmas (2)(2)
Classical plasma Quantum plasma
One-particle probability density (x=r,p):
),...(...)( 1211 NNN xxfdxdxxf ∫=
Kinetic equation:
],[ 12111 VfIpf
rU
rfv
tf
=∂∂
∂∂
−∂∂
+∂∂
Mean field approximation: 2112 fff ≈
Linearization: fff δ+= )0(11
Yields Vlasov dielectric function
One-particle density operator:
NNTrF ρ̂ˆ...21 =
Quantum Kinetic equation:
[ ] ]ˆ,[ˆ,ˆ1ˆ12111 FVIFH
iF
t=−
∂∂
h
Mean field approximation:2112
ˆˆˆ FFF ≈
Linearization: FFF ˆˆˆ )0(11 δ+=
Yields „Random phase approximation“( see Norman Horing‘s talk)
For details see book: M. Bonitz, „Quantum Kinetic Theory“
KineticKinetic TheoryTheory forfor quantumquantum plasmasplasmas (3)(3)
Classical plasma Quantum plasma
Efficient numerical solution of kineticEquation using PIC-MCC
[particle in cell method (for mean field part) plus Monte Carlo methods for collisions.]
],[ 12111 VfIpf
rU
rfv
tf
=∂∂
∂∂
−∂∂
+∂∂
Quantum Kinetic equation:
[ ] ]ˆ,[ˆ,ˆ1ˆ12111 FVIFH
iF
t=−
∂∂
h
For details see book: M. Bonitz, „Quantum Kinetic Theory“
• So far there are no efficient quantumgeneralizations of PIC, manychallenges remain
• alternative approach: classical PIC plus (small) quantum corrections
• we have devolped direct solutions of QK equations using NonequilibriumGreen‘s functions See talk of Karsten Balzer
ContentsContents
1. Introduction: Examples of nonideal quantum plasmas
2. Theoretical approaches to quantum plasmas
3. Computer simulations of quantum plasmas
- low temperature: partially ionized plasmas
- high density: quantum plasmas in the universe and lab
- thermodynamics, ionization equilibrium- kinetic theory
- brief overview on possible approaches
RequirementsRequirements forfor quantumquantum simulationssimulations
A. Single-particle properties
- coordinate and momentum not measurable simultaneously(Heisenberg uncertainty)
- Quantum particle has finite extension- quantum particle may be in many states(superposition principle)
- free quantum particle diffuses with time nn Ex),(Ψ
Fermions Bosons
B. Many-particle properties
- Spin statistics, indistinguishability(symmetry/antisymmetry of wave function)Availability of a quantum state for oneparticle depends on the states of all otherparticles (even without interaction!)
3.1 3.1 TypesTypes of of simulationssimulations
Equilibrium Nonequilibrium
- Monte Carlo- Equilibrium Molecular Dynamics
A. Extension of classical methods
B. Special quantum methods
- Exact diagonlization- Density Functional Theory (DFT)- Hartree-Fock
- Schrödinger equationtalk by Sebastian Bauch
- Time-dependent Hartree-Focktalk by Karsten Balzer
- Time-dependent DFT
- Nonequilibrium Molecular Dynamics- Kinetic equations
3.2 Quantum Monte Carlo 3.2 Quantum Monte Carlo
- Generalization of classical Monte Carlo (several methods)
- In particular: using Richard Feynmans‘s „Path integral“ representation of quantum mechanics PIMC
- Very successful „first-principle“ approach, avoids model assumptions
See Talk of Alexei Filinov
For details, see text book „Introduction to Computational Methods forMany-body Systems“, Rinton Press Princeton 2006
3.3 Quantum 3.3 Quantum MolecularMolecular DynamicsDynamics
- Generalization of classical Molecular Dynamics difficult
1. Wave packet MD (modified classical propagation of extended particle)
2. Wigner function MD, see book below
3. Semiclassical MD: classical MD with quantum and spin effects includedvia effective potentials
For details, see text book „Introduction to Computational Methods forMany-body Systems“, Rinton Press Princeton 2006
SummarySummary (1) (1) Quantum plasmas are omnipresent in nature (astrophysics,Condensed matter systems, quark-gluon plasma etc.)
Theoretical approaches are based on quantum statistics: Thermodynamics, Quantum kinetic theory
Efficient first-principle computer simulations have emerged:such as PIMC, DFT, But: much more efforts (quantum MD or PIC) needed
Quantum plasmas become increasingly important for applications: Laser plasmas, ion beam experiments, laser fusion
SummarySummary (2)(2)
For more details see our text books:
M. Bonitz, „Quantum Kinetic Theory“, Teubner 1998
„Introduction to Computational Methods for Many-Particle Systems“,M. Bonitz and D. Semkat (eds.), Rinton Press, Princeton 2006
http://www.theo-physik.uni-kiel.de/~bonitz
SupportedSupported byby DFG via DFG via TransregioTransregio--SFBSFB Greifswald/Kiel Greifswald/Kiel „„Grundlagen Komplexer PlasmenGrundlagen Komplexer Plasmen““