A NNALES DE L ’I. H. P., SECTION A
R OBERTO H. S CHONMANN
An approach to characterize metastability and critical droplets in stochastic Ising models
Annales de l’I. H. P., section A, tome 55, n
o2 (1991), p. 591-600
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Article numérisé dans le cadre du programme Numérisation de documents anciens mathématiques
591
An approach to characterize metastability
and critical droplets in stochastic Ising models
Roberto H. SCHONMANN
Instituto de Matemática e Estatistica, Universidade de Sâo Paulo, Caixa Postal 20570, 01498 Sâo Paulo, SP. Brazil
Ann. Inst. Henri Poincaré,
Vol. 55, n° 2, 1991, Physique théorique
AasTRACT. - This note is an account of the
présent
state of and ofpossible
direction of research on anapproach
to characterizemetastability
and the rôle of critical
droplets
for some stochasticIsing models, by considering
a limit in which thetempérature
vanishes. Theemphasis
liesin the identification of
typical paths
of the processes, asproposed
in[CGOV].
Key words : Ising model, Glauber dynamics, metastability, critical droplets, limit of zéro température, pathwise approach.
Cet article rend
compte
de l’état actuel des connaissances et des directionspossibles
de recherche sur un programme dont le but est de caractériser la métastabilité et le rôle desgouttelettes critiques
decertains modèles
stochastiques d’Ising,
en considérant la limite detempé-
rature nulle. L’accent est
porté
sur l’identification destrajectoires typiques
du processus, comme
proposé
dans[CGOVj.
Classification A.M.S. : 60K35, 82A05
Partially supported by CNPq. Présent address: Mathematics Department, University of
California at Los Angeles, Los Angeles, CA 90024, U.S.A.
Annales de Henri Poincaré - Physique théorique - 0246-0211 Vol. 55/91/02/591/10/$3,00/B Gauthier-Villars
In this note 1
give
a short account of a line of research - thestudy
ofmetastability
and criticaldroplets
for stochasticIsing
models in the limitas the
température
vanishes - in which 1 amengaged,
in collaboration with Eduardo Jordâo Neves. 1 will also indicate some directions ofprésent
and future research. For more détails andproofs
the reader is refered to[NS 1 ], [NS2]
and[N].
1 do not intend to write hère a review on thesubject
of
metastability
and refer the reader to the nice survey[PL]
and inparticular
itsupdate
added to the new édition.Nevertheless,
in the nextparagraphs
1provide
a brief overview of the sources of theproblem,
andsome
previous
work onit, [PL]
can be consulted for more détails and for références to the literature.The
original
motivation for the theoreticalstudy
ofmetastability
camefrom a
phenomenon reported
in thephysics
literature: the metastable states in which somethermodynamic systems
may enter instead ofundergoing
aphase
transition. Forinstance,
consider a vapor inside a container submit- ted toincreasing
pressures at fixedtempérature.
At a certainpoint
thevapor should condensate into a
liquid.
But if thisprocédure
is donecarefully,
in a smoothenough fashion,
the vapor may not condensate at all and instead enter into astate called metastable. It continues to showproperties
of a gas, but maysuddenly decay
to the trueequilibrium liquid
state.
Phenomenologically
this fact has beenexplained
asbeing essentially
kinetic. For the vapor to
condensate, droplets
of theliquid
must be formedthat grow until the whole
system
reaches this states. But smalldroplets
have a
large
ratio of surface area pervolume,
which causes them to tendto lose molécules and to shrink.
Only
adroplet
with a sizelarger
than acritical one will grow. Such
droplet
will appear because of a random fluctuation in the metastable vapor in which smalldroplets
areconstantly being
formed andshrinking.
Togive
to thispicture
a morequantitative
flavor one attributes a surface "free
energy"
to thedroplets
whichcompetes
with their bulk "freeenergy", causing
the total free energy of thedroplet
to vary with its
radius, increasing
until the critical size is reached and thendecreasing.
Thisgives
rise to a "free energy barrier" that has to beovercome for a
large droplet
to be formedThere is a vast literature devoted to
finding
morerigorous explanations
for the
phenomenon,
at least in the context of somesimple
modelsystems.
As a
général
rule the results canonly
be consideredsatisfatory
for themean-field
models,
in which eachcomponent
of thesystem
interacts withan average field caused
by
the othercomponents.
On the other hand thissort of interaction in not very realistic and several
attempts
have been made toprovide rigorous
resultsindicating
the présence ofmetastability
effects in model with short range interactions. This is also the case of our
work.
593
CRITICAL DROPLETS IN STOCHASTIC ISING MODELS
As in many other papers we consider the nearest
neighboor ferromag-
netic
Ising
models with Glaubertype of dynamics (stochastic Ising models).
Thèse models are caricatures of
ferromagnetic
materialsevolving
in timecoupled
to heat réservoirs(i.
e., at fixedtempératures).
Metastable effectsare
expected
to appear hère when thesystem
isinitially
in astatemagneti-
zed in one direction and an external field is turned on in the
opposite
direction. The new
equilibrium
state would bemagnetized
in the direction of the externalfield,
but for it to bereached,
first"droplets"
of thisphase
have to be formed inside the
opposite phase.
The interface between adroplet
and thebackground produces
apositive
energyproportional
toits area, while the bulk of a
droplet, parallel
to the externalfield, produces
a
négative
energyproportional
to its volume. For such reasons it is acommon idea that stochastic
Ising
models mustprésent
in aprécise
senséthe features associated to
metastability, including
the characterization of criticaldroplets.
Heuristicarguments
andcomputer
simulations havesupported
this view. Also relatedrigorous
results have been obtained(see [PL]
and référencestherein),
but to ourknowledge
therigorous
resultsobtained so far do not
provide
the fullpicture
ofmetastability
andespecially
the rôle of criticaldroplets,
as described above.Our
approach
to theproblem
is based on the considération of a différent limit than the oneusually
taken. In order to obtainsharp results,
toidealize
large systems
and todisregard boundary effects,
one takes(when studying equilibrium properties
of statistical mechanicsmodels)
the ther-modynamic limit,
in which the volume goes toinfinity, keeping
a fixeddensity.
But for asystem
with shortinteractions,
the intuitivepicture
ofmetastability
sketched above does not survive this limit. If the volume isas
large
as we want, then criticaldroplets,
which appear as local fluctu-ations,
will appear somewhere almostinstantaneously.
In fact agrowing density
of them will appear, and grow and thesystem
will evolve in asmooth way to the
equilibrium régime.
Instead of thethermodynamic limit,
we consider the volume(and
externalfield)
as fixed and take the limit as thetempérature
vanishes. In this limit and for some stochasticIsing
models to bespecified below, flips
of thespins
that cause the energy to grow becomeunlikely
andplay
the rôle of a weak noiseperturbing
asystem
in whichrectangular droplets
would neither grow nor shrink.Only
in a time scale that
diverges
as thetempérature
vanishes one can see thedroplets
evolve. In such a situation it is notsurprising,
that the évolution of adroplet
will be dictatedby
the energy ofnearby configurations.
Andso the heuristics which indicates the existence of critical
droplets
becauseof the
compétition
between the surface and bulkénergies
should indeedlead to correct results. We do obtain results of this sort which will be stated more
precisely below,
but first we mustclarify
themeaning
of theresults that we obtain under the limit in which the
température
goes toVol. 55, n° 2-1991.
zéro. We are not at ail
studying
thesystem
at zérotempérature,
but atvery low
stricty positive température.
We prove that in the limit theprobabilities
of certainpatterns
of évolution converge to one, and thismeans
simply
that at lowenough température
thèsepatterns
are verylikely
to be observed. In otherwords,
we areidentifying typical
sorts ofbehavior,
asprecisely
as we can, for thesystem
at lowenough strictly positive températures. This,
of course, is similar to what can be said about other limit theorems as those obtained inequilibrium
statistical mechanics in thethermodynamic
limit. There one obtains thetypical
behavior ofsystems
that are notinfinité,
butlarge enough
and finite. In any one ofthèse situations it is désirable to
sharpen
the resultsby estimating
theerrors in the
limiting procédures.
In otherwords, by saying
in our casefor a
given system
how low thetempérature
must be for theprobability
of a certain event to be
larger
than 1- E. Our estimâtes at that momentwere not
optimazed
in this sensé and for this reason we leave thèsequestions
for a futureinvestigaticn.
We consider the
system
on a latticeA={1,
...,wrapped
into a torus
(periodic boundary conditions).
At each site x there is aspin
cr
(x) taking
the values -1 or + 1. Theconfigurations
with allspins
downor up will be denoted
respectively by -1
and +L The energycorrespond- ing
to aconfiguration 1,
+ 1}A
isgiven by
where h is the external
field,
that we will hèrealways
assume asbeing positive
and less than1,
and B is the set ofneighboring
sites in A withperiodic boundary conditions, z’.~., {~
in case xand y
have d -1coordinates in common and one coordinate which differs
by
1 or N -1.For fixed inverse
température P,
the Gibbsprobability
measure isgiven by
where
Z - 1
is a normalization constant.One constructs a
corresponding
stochasticIsing
modelby letting
thespins change
value in time in a stochasticfashion,
with thespin
at thesite x
flipping
with ratec (x, cr)
when theconfiguration
is cr.Formally
this
system
is a continuous time Markov process with state space{-1,+1}~
andgenerator
L which acts on each function.f: ~ --1, + 1 } A ~ IR as
595
CRITICAL DROPLETS IN STOCHASTIC ISING MODELS
where
The rates are
supposed
tosatisfy
thereversibility (detailed balance)
condition
This assures
that J.l
is theonly
invariant measure for the process andmoreover the
stationary
process obtainedby starting
with this measure istime-reversible.
There are
infinitely
many choices of the ratesc (x, cr)
thatsatisfy
thereversibility
condition. Most of our results([NS1], [N])
were obtained for the so calledMetropolis dynamics,
whichcorresponds
towhere
©x
H(cr)
= H H is the incrément in energy causedby flip- ping
thespin
at the site x. In Theorem 1 of[NS1] we
prove that in two dimensions for thisdynamics
the heuristics about criticaldroplets
has infact a
rigorous counterpart.
The energy of aconfiguration
with asingle
square
droplet
l X l ofspins
+ 1 in a sea ofspins -1
isH(2014r)+4/2014/ï/~
which has a
single
maximum at/=2//!.
We prove that indeed arectangular droplet
ofspins
+ 1 in a sea ofspins -1
islikely
to grow if both its sidesare
larger
than2/h,
while it islikely
to shrink if one of thèse sides is lessthan
2/h.
In the former case the time for thedoplet
to cover the wholesystem
is of the order of exp(P (2 2014 h)),
while in the latter case the timefor the
doplet
todisappear
is of the order of exp(P
h(72014 1)),
lbeing
itssmallest side. The
results,
as observedabove,
are of the formlim
P (E) = 1,
whereP (E)
is theprobability
in each case that an event Edescribing
thetypical
behavior(skrinking
orgrowing
in a time of thecorrect
order)
occurs.In
[NS2]
this result was extended to a class of rates in the two-dimensional case. This class is characterized
by
the fact that for fixedtempérature
each ratec (x, a) dépends only
on the incrément in energy causedby
theflip
of thespin
at x,Ax
H(a),
in a monotonenon-increasing
way. We observed also in
[NS2]
that themonotonicity
of the rates in thiscondition is
crucial,
since otherwise we can findexamples
that violate theconclusion of the theorem
(for
instance with the criticallenght being
1instead of
2/h).
This shows that inspite
of thesimilarly
between the heuristic andrigorous results,
their contents are notreally
the same.In more than two dimensions our results are at the
présent
much lesssatisfactory.
In[NS2]
we showed(for
the same class ofdynamics
withVol. 55, n° 2-1991.
monotone
rates)
that in every dimension smallenough droplets
arelikely
to shrink while
large enough droplets
arelikely
to grow. But both bondson the size of the
droplet
are far from the thresholdexpected heuristically.
The difficulties lie
mostly
in the fact that while in two dimensionsonly rectangular droplets
are local minima of the energy, inhigher
dimensionsmuch more
complicated shapes
ofdroplets
have thisproperty (take
forinstance a small cube on
top
of alarger one).
Evenheuristically,
weexpect
that notonly
thesmallest,
but in fact all but thelargest
sides of adoplet
are relevant to détermine itsprobable
fate. Forinstance,
in three dimensions consider adoplet
with sidesP~Q~R.
Weexpect
it to be subcritical in case the removal of a two-dimensional slice P xQ (which
causes R to
change
toR -1 )
decreases the energy, and to besupercritical
incase this removal increases the energy. The first
conjecture (on
subcriticaldroplets)
wasproved by
Eduardo J. Neves in his thesis[N],
in along
tourde
force,
in which he classified différent local minima of the energyaccording
to theirstability
andanalysed
their rôle in différent time scales.His methods may
potentially
be used to prove also the secondconjecture (on supercritical droplets),
but at this moment thisproject
is still notcompleted.
Once the
typical
behavior ofsingle droplets
had beenidentifyed
for aclass of stochastic
Ising
models in twodimensions,
we used thèse results tostudy
the évolution of thesystem (~r 1, ~0) starting from -1,
untilit hits + 1. Let be the random time
needed
for thisdecay.
In[NS 1]
and[NS2]
weproved
thefollowing results, always
as(a) T/E (T)
converges in distribution to a unit meanexponential
randomvariable.
(b) Modify
the process(o~ ~) by freezing
it in +1
when it first hits thisconfiguration.
Then the finite dimensional distributions of the process~0)
converge to those of a purejump
Markovian process whichstays ln - 1
for a unit meanexponential
time and thenjumps
to+ l,
where it is
trapped
forever.Intuitively,
thesystem stays essentially in -1 and cventually jumps
to+ 1;
also the moment of thejump
is close tounpredictable (exponential)
at low
température.
We can not take more than the finite dimensional distributions in(b),
since subcriticaldroplets
areappearing
anddisappear- ing
hère and there from time to time before T. But the result above indicates that "most" of the time before T thesystem
is in - 1. We will discuss later on ways in which(b)
may bestrengthened. Incidentally,
in[NS1]
weproved
also that forMetropolis dynamics,
in the time scaleE
(T),
one never sees ajump
back from+ 1 to 2014 _1,
so that(b)
remainstrue also if we do not freeze the process in + 1. This should be true with much
greater generality,
but is amarginal
issue for us, since we aremostly
concerned with the behavior of the
system
before it hits + 1.597
CRITICAL DROPLETS IN STOCHASTIC ISING MODELS
In
(b)
above we characterizetypical paths
of the process(6r 1)
aslooking
like one wouldexpect
in a metastable situation. The idea oflooking
tometastability
in this way was introducedby
M.Cassandro,
A.
Galves,
E. Olivieri and M. E. Vares in[CGOV],
and furtherdeveloped
and
applyed
in several situations in[KN], [Sch], [NCK], [GOV], [COP], [MOS1], [EGJL]
and[Bra].
Our work was verystrongly
influencedby
this so called
"pathwise approach
tometastability",
and may be consideredas one more
step
in the direction ofestablishing
the présence of metastabil-ity
in this sensé for reasonable andinteresting
modelsystems.
Looking
back to the heuristicpicture
ofdroplets nucleating
thedecay
of the metastable
system
and to the resultsabove,
one sees that there is much more that one would like to prove. Forinstance,
in the passagefrom - 1
to +1
oneexpects
that thesystem
passesthrough
aconfiguration
with a
single
criticaldroplet,
that then grows and covers the whole lattice(instead
ofseeing
severaldroplets growing simultaneously.)
Also onewould
expect
themagnitude
of the nucleation time T to beasymptotically
of the order of exp
(?F (h)),
where r(h)
is an energy barrier which must be overcome to gofrom -1
to + 1. In[NS1] ]
weproved
indeed suchresults for
Metropolis dynamics
in d= 2. Weproved
also there thatstarting
from any
configuration
thesystem
islikely
to relax to+ 1 or -1
in atime which is much shorter than the nucleation time.
In
parallel
to ourwork,
F.Martinelli,
E. Olivieri and E.Scoppola
wrotea séries of papers
([MOS2]-[MOS5]),
in whichthey
combined our resultsand
techniques
with others to proveexponential approach
toequilibrium
for some stochastic
Ising
models for smallpositive
external field at lowenough
but fixedpositive température. They
also extended thèse results to theSwendsen-Wang
clusterdynamics,
adynamics
for theIsing
modelin which whole blocks of
spins flip simultaneously.
1
point
out now directions in which we aregoing
orplan
to go.1 ) Dealing
with~3
is notonly
a mathematicalchallange,
but is alsoimportant
forunderstanding
thephysical
rôle of thecomplicated
structureof the local minima and how to handle it. Hère the ideas of E. J. Neves
seem
promissing,
but see also item(5)
below.2)
Inparallel
to( 1 ) above,
weplan
tosharpen
our control and under-standing
of the two-dimensional case,especially
in thesimplest
case ofMetropolis dynamics.
Forinstance,
we would like to be able to tell inmore détail how is the
typical
évolution from the time thesystem
leaves-1
for the last time beforehitting
+1
and the time it hits thisconfigur-
ation.
Using
thereversibility
of the process we have some results in this direction. We alsoexpect
toidentify
a set ofconfigurations
which are"close"
to - 1
in the sensé thatthey
are visited many times before thesystem
hits + 1. Forexample, configurations
with asingle
subcriticaldroplet,
or with severaldroplets
much smaller than the critical one. WeVol. 55, n° 2-1991.
expect
thesystem
to "thermalize" in this set ofconfigurations
before ithits +
1,
in the sensé that for every ~ in this setin
probability
as03B2 ~
oo . Of course, ailthe ~
above must haveénergies larger
thanH ( -1 ),
and hence the statement above wouldgive
the orderof
magnitude
of the very small fraction of time that thesystem spends
ineach of thèse
configurations
before it is nucleated. Thèse fractions of time would thenroughly correspond
to those observed in asystem
inequili-
brium with a heat bath. Partial results in this direction have
already
beenobtained.
3)
It is not hard to see that if we let the volume go toinfinity slowly enough
at the same time that thetempérature
goes to zéro, then we obtain the same results that weproved
for finite volume. Inparticular,
asingle
critical
droplet
nucleates thedecay
of the metastable state. On the otherhand,
if in such a double limit the volume grows toofast,
then thepicture
resembles that in the case of fixed
température,
and manydroplets
appearrapidly
and nucleate the passage from-1 to +! homogeneously.
It wouldbe
interesting
to see if one canidentify
asharp
threshold between the two sorts ofrégimes,
or at least obtain upper and lower bounds with the samekind of
dependence
betweenP and
N.Preliminary
observations seem toindicate that the critical relation is of the form
P=ClogN.
This would bea ni ce
result,
inparticular
because it would tell us that even ifNd
is of the orderof Avogadro’s number, [i -1
may be a "reasonable"température
for the metastablepicture
to hold.4)
Theprevious question
is related but not identical to theproblem already
mentioned ofestimating
the errors in the limits. One may even want to be very concrète and askthings
like how low thetempérature
must be for the
probability
that a squaredroplet
of side 100 shrinks tobe
larger
than0.999,
whenN= 108
andh =10 - 3.
5)
One can abstract theproblem
and consider agénéral
finitegraph
whose vertices
play
the rôle ofconfigurations
and such that itsedges generalize
the notion ofconfigurations
which differ at asingle
site. Attrib-uting énergies
to the vertices one can define aMetropolis dynamics
onsuch a
graph.
This is in fact done in theoptimization procédure
knownas simulated
annealing
but there thetempérature
isslowly
decreased asthe process evolves
(see [KGV]).
Thequestion
hère is to state and prove results related to the structure of local minima of thegraph,
which mayin
particular
beapplied
then to the case of the stochastic(Metropolis) Ising
model. One may alsotry
toexplore
the conséquences of thispoint
of view to simulated
annealing.
Suchquestions
areclosely
related to theFreidlin-Wentzell
theory
onweakly perturbed dynamical systems [FW].
Annales de l’Institut Henri Poincaré - Physique théorique
599
CRITICAL DROPLETS IN STOCHASTIC ISING MODELS
6)
Weargued already
that forfixed (3
and h we do notexpect
a metastable behavior forlarge
volume. But if wekeep (3 fixed, larger
thanthe critical value and take the
thermodynamic
limit and h ~ 0 simultane-ously
andrapidly enough,
then it it natural toexpect
metastable effectsto appear. This is so because the size of the critical
droplet
grows as h vanishes and hence in this case the appearance of a criticaldroplet
muststill be the result of a
large
fluctuation. One may even extend theproblem
in item
(3)
above and consider the différent behaviors of thesystem
in the three-dimensionalparameter
spaceN x p
x h.Technically
thèsequestions
seem to be much harder to handie than those treated so far.ACKNOWLEDGEMENTS
It is
pleasure
to thank Eduardo Jordao Neves for his collaboration in the work summarized and discussed hère.1 benefited very much from continuous conversations on
metastability
and related
subjects
with M.Aizenman,
M.Cassandro,
A.Galves,
J.
Lebowitz,
F.Martinelli,
F.Olivieri,
J. F.Perez,
E.Presutti,
E.
Scoppola,
N. Tanaka and M. E. Vares.1 would also like to thank Antonio Galves for
organizing
themeeting
for which this note was written.
This paper was written at the time that 1 was
leaving
Sao PauloUniversity
after 14 years first as a student and then as afaculty
member.1 would like to take this
opportunity
to thank the many friends andcolleagues
there with whom 1 have beeninteracting
ail this time and with whom 1expect
to continue to interact in différent ways.[Bra] S. BRASSESCO, Tunelling for a Non-Linear Heat Equation with Noise, preprint,
1989.
[CGOV] M. CASSANDRO, A. GALVES, E. OLIVIERI, and M. E. VARES, Metastable Behavior of Stochastic Dynamics: A Pathwise Approach, J. Stat. Phys., Vol. 35, 1984,
pp. 603-634.
[COP] M. CASSANDRO, E. OLIVIERI and P. PICCO, Small Random Perturbation of Infinite Dimensional Dynamical Systems and Nucleation Theory, Ann. Inst. Henri Poin- caré Phys. Théor., Vol. 44, 1986, pp. 343-396.
[EGJL] V. R. ESTON, A. GALVES, C. M. JACOBI and R. LANGEVIN, Dominance Switch Between Two Interacting Species and Metastability, preprint, 1988.
[FW] M. I. FREIDLIN, A. D. WENTZELL, Random Perturbation of Dynamical Systems, Springer, 1984.
[GOV] A. GALVES, E. OLIVIERI and M. E. VARES: Metastability for a Class of Dynamical Systems Subject to Small Random Perturbations, Ann. Probab., Vol. 15, 1987,
pp. 1288-1305.
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[KGV] S. KIRKPATRICK, C. D. GELATT Jr. and M. P. VECCHI, Optimization by Simulated Annealing, Science, Vol. 220, 1983, pp. 671-680.
[KN] C. KIPNIS and C. M. NEWMAN, The Metastable Behavior of Infrequently Observed, Weakly Random, One-Dimensional Diffusion Processes, S.I.A.M. J. Appl.
Math., Vol. 45, 1985, pp. 972-982.
[MOS1] F. MARTINELLI, E. OLIVIERI and E. SCOPPOLA, Small Random Perturbation of Finite and Infinite Dimensional Systems: Unpredictability of Exit Times, J. Stat.
Phys., Vol. 55, 1989, pp. 477-504.
[MOS2] F. MARTINELLI, E. OLIVIERI and E. SCOPPOLA, Rigorous Analysis of Low Temperature Stochastic Ising models: Metastability and Exponential Approach
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( Manuscript received August 16, 1990; 1
evised version received January 29, 1991.) Note added in
After this paper was
written,
we made progress onquestions (2)
and(3)
discussed above and also on theanalysis
of the conséquences of the behavior ofdroplets
for the évolution of thesystem
on an infinité lattice.Thèse
developments
will be thesubjects
offorthcoming publications.
Annales de l’Institut Henri Poincaré - Physique théorique