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在这项工作中,我们研究了在<math altimg =“ si1.gif” xmlns =“ http://www.w3.org/1998/Math/MathML”>处具有虚磁场iθ的二维和三维反铁磁伊辛模型。 <mi>θ</ mi> <mo> = </ mo> <mi>π</ mi> </ math>。 为了执行系统的数值模拟,我们引入了一种不受符号问题影响的新几何算法。 我们对2D模型的结果与分析解决方案一致。 我们还提出了3D模型的新结果,这些结果定性地与平均场预测相一致。
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Available online at www.sciencedirect.com
ScienceDirect
Nuclear Physics B 883 (2014) 656–684
www.elsevier.com/locate/nuclphysb
A geometric Monte Carlo algorithm for
the antiferromagnetic Ising model with “topological”
term at θ = π
V. Azcoiti
a
,G.Cortese
a,b
, E. Follana
a,∗
, M. Giordano
c
a
Departamento de Física Teórica, Universidad de Zaragoza, Calle Pedro Cerbuna 12, E-50009 Zaragoza, Spain
b
Instituto de Física Teórica, UAM/CSIC, Cantoblanco, E-28049 Madrid, Spain
c
Institute for Nuclear Research of the Hungarian Academy of Sciences (ATOMKI), Bem tér 18/c,
H-4026 Debrecen, Hungary
Received 13 January 2014; received in revised form 4 April 2014; accepted 5 April 2014
Available online 13 April 2014
Editor: Hubert Saleur
Abstract
In this work we study the two and three-dimensional antiferromagnetic Ising model with an imaginary
magnetic
field iθ at θ = π. In order to perform numerical simulations of the system we introduce a new
geometric algorithm not affected by the sign problem. Our results for the 2D model are in agreement with
the analytical solution. We also present new results for the 3D model which are qualitatively in agreement
with mean-field predictions.
© 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license
(http://creativecommons.org/licenses/by/3.0/). Funded by SCOAP
3
.
1. Introduction
Since its introduction many years ago, the Ising model has been a prototype statistical sys-
tem for studying phase transitions and critical phenomena [1]. With the advent of the epoch of
computer numerical simulations to study statistical systems, this model has become even more
*
Corresponding author.
E-mail addresses: azcoiti@azcoiti.unizar
.es (V. Azcoiti), cortese@unizar.es (G. Cortese), efollana@unizar.es
(E. Follana), giordano@atomki.mta.hu (M. Giordano).
http://dx.doi.org/10.1016/j.nuclphysb.2014.04.004
0550-3213/© 2014
The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license
(http://creativecommons.org/licenses/by/3.0/). Funded by SCOAP
3
.
V. Azcoiti et al. / Nuclear Physics B 883 (2014) 656–684 657
important as a test bench to develop new algorithms. There are many interesting physical systems
for which, due to the sign problem, we do not have efficient numerical algorithms. Some exam-
ples include QCD at finite density or with a non-vanishing θ term. This situation has hindered
progress in such fields for a long time, and it is thus of great interest to study novel simulation
algorithms. In the present work we develop and test a new algorithm, which belongs to a class of
“geometric” algorithms [2–20], and which is applicable to the D 2 dimensional antiferromag-
netic Ising model with an imaginary magnetic field iθ (see [21] and [22])atθ = π , with which
we are able to solve the sign problem that afflicts this model when using standard algorithms.
Preliminary results were presented in [24].
This paper is organized as follows. In Section 2 we
introduce the antiferromagnetic Ising
model. In Section 3 we derive our geometric representation of the model. Section 4 is devoted
to the construction of the numerical algorithm. In Section 5 we present the numerical results
and finally Section 6 contains our conclusions. Some technical details on the ergodicity of the
algorithm as well as on the numerical analysis are contained in Appendices A–D.
2. The antiferromagnetic Ising model with a topological term
We consider the Ising model in D 2 dimensions, defined on a hypercubic lattice Λ with
an even number of sites L = 2n in each direction, and with either open or periodic boundary
conditions. The Hamiltonian of the model is
H
{s
x
},J,B
=−J
(x,y)∈B
s
x
s
y
− B
x
s
x
. (1)
Here the spin variables are s
x
=±1, and the sum
(x,y)∈B
is over the pairs of sites (x, y) that are
nearest neighbors; we denote the set of all such pairs by B. Moreover, J is the coupling between
nearest neighbors, and B is an external magnetic field. The reduced Hamiltonian H = H/(k
B
T),
where T is the temperature and k
B
the Boltzmann constant, is written as
H
{s
x
},F,h
=−F
(x,y)∈B
s
x
s
y
−
h
2
x
s
x
, (2)
with F = J/(k
B
T), h = 2B/(k
B
T). As the total number of spins is L
D
= (2n)
D
, and therefore
even, the quantity Q =
1
2
x
s
x
is an integer number, taking values between −L
D
/2 and L
D
/2.
Q can then be thought of as playing the role of a topological charge. It is then worth studying
what happens for imaginary values of the reduced magnetic field h, i.e., for h = iθ. The topo-
logical charge Q is odd under the Z
2
transformation s
x
→−s
x
∀x: while at θ = 0 the system is
symmetric under this transformation, for θ = 0,π the Z
2
symmetry of the system is explicitly
broken. At θ = π the contribution of the topological charge to the Boltzmann factor amounts to
e
iπQ
= (−1)
Q
= (−1)
−Q
, (3)
i.e., this contribution is Z
2
invariant, and therefore the Z
2
symmetry is restored; it has to be
checked if it is spontaneously broken or not.
3. Geometric representation of the model
3.1. Partition function
We will now introduce a geometric representation for the model at h = iθ = iπ. Let us rewrite
the partition function of the system,
658 V. Azcoiti et al. / Nuclear Physics B 883 (2014) 656–684
Z(F,θ = π) =
s
x
=±1
e
F
(x,y)∈B
s
x
s
y
+i
π
2
z
s
z
=
s
x
=±1
(x,y)∈B
e
Fs
x
s
y
z
i
s
z
=
s
x
=±1
(x,y)∈B
e
Fs
x
s
y
z
is
z
= i
V
s
x
=±1
(x,y)∈B
cosh(F s
x
s
y
) + sinh(F s
x
s
y
)
z
s
z
=
s
x
=±1
(x,y)∈B
cosh(F ) + sinh(F )s
x
s
y
z
s
z
, (4)
where we have taken into account that the volume of the system, V = L
D
, is a multiple of 4,
and that cosh(−x) = cosh(x),sinh(−x) =−sinh(x). Note now the following symmetry of this
partition function. Define the two staggered lattices Λ
(1,2)
as follows:
Λ
(1)
=
x = (i
1
,...,i
D
) ∈ Λ
(i
1
+···+i
D
) mod 2 = 0
,
Λ
(2)
=
x = (i
1
,...,i
D
) ∈ Λ
(i
1
+···+i
D
) mod 2 = 1
. (5)
Nearest neighbors always belong to different staggered lattices; as a consequence, if we change
variables in the sum in Eq. (4) by changing the sign of all the spins in only one of the two
staggered lattices, say, s
x
→−s
x
∀x ∈ Λ
(2)
,Eq.(4) becomes
Z(F,θ = π) = (−1)
L
D
2
s
x
=±1
(x,y)∈B
cosh(F ) − sinh(F )s
x
s
y
z
s
z
=
s
x
=±1
(x,y)∈B
cosh(F ) − sinh(F )s
x
s
y
z
s
z
. (6)
Therefore, Z(F,θ = π) = Z(−F,θ = π), i.e., at θ = π the ferromagnetic and antiferromagnetic
models are essentially equivalent. In conclusion, we can write
Z(F,θ = π) =
s
x
=±1
(x,y)∈B
cosh
|F |
+ sinh
|F |
s
x
s
y
z
s
z
. (7)
Let us denote by B! the power set of B, i.e.,
B!={b | b ⊆ B}. (8)
A subset b can be seen as a configuration of “active bonds” (we will sometimes also refer to
active bonds as “dimers”) between neighboring sites. Let N [b] be the number of elements of b,
i.e., the number of active bonds; clearly,
¯
N [b]=N [B]−N [b] is the number of inactive bonds.
Finally, we define the quantity
π
x
(y, z)
=
1ifx = y or x = z,
0 otherwise,
(9)
and let π
x
[b] be the number of bonds in b that “touch” x,
π
x
[b]=
(y,z)∈b
π
x
(y, z)
. (10)
V. Azcoiti et al. / Nuclear Physics B 883 (2014) 656–684 659
Armed with this notation, we can rewrite the product over pairs of neighboring sites in Eq. (7) as
follows,
(x,y)∈B
cosh
|F |
+ sinh
|F |
s
x
s
y
=
b∈B!
cosh
|F |
¯
N [b]
sinh
|F |
N [b]
(x,y)∈b
s
x
s
y
.
(11)
The sum over spin configurations in Z vanishes unless each spin appears an even number of
times in the product above, and gives a factor of 2 per spin otherwise, that is,
s
x
=±1
(x,y)∈b
s
x
s
y
z
s
z
=
0if∃x π
x
[b] mod 2 = 0,
2
L
D
otherwise.
(12)
Summarizing,
Z(F,θ = π) = 2
L
D
b∈B!,
{π
x
[b] mod 2=1∀x}
cosh
|F |
¯
N [b]
sinh
|F |
N [b]
= 2
L
D
cosh
|F |
N [B]
b∈B!,
{π
x
[b] mod 2=1∀x}
tanh
|F |
N [b]
. (13)
This is the geometric representation that we will use in our algorithm.
3.2. Observables
It is useful to generalize the partition function to the case of variable couplings, i.e.,
H
{s
x
}, {F
xy
},θ = π
=−
(x,y)∈B
F
xy
s
x
s
y
− i
π
2
x
s
x
. (14)
This allows us to calculate all the correlation functions for an even number of spins s
x
1
s
x
2
...
s
x
2k
,
1
by taking derivatives with respect to F
xy
for an appropriate set of (x, y). Indeed, choosing
a set of paths C
1
,...,C
k
connecting the spins pairwise (there are no restrictions on these paths),
and then performing derivatives with respect to all the pairs (x, y) appearing in those paths
(if a pair appears m(x,y) times, one has to take the m(x,y)-th derivative with respect to the
corresponding coupling),
s
x
1
s
x
2
...s
x
2k
=Z
−1
{F
xy
= F },θ = π
×
(x,y)∈∪
j
C
j
∂
m(x,y)
∂F
m(x,y)
xy
Z
{F
xy
},θ = π
{F
xy
}={F }
. (15)
The geometric representation for the partition function with variable couplings is similar to the
one obtained for constant coupling, and the final result takes the form
Z
{F
xy
},θ = π
= 2
L
D
b∈B!,
{π
x
[b] mod 2=1∀x}
(x,y)
(x,y) /∈b
cosh(F
xy
)
(x,y)
(x,y)∈b
sinh(F
xy
). (16)
1
Correlation functions with an odd number of spins are automatically zero.
660 V. Azcoiti et al. / Nuclear Physics B 883 (2014) 656–684
Taking derivatives with respect to F
x
1
y
1
,...,F
x
l
y
l
, and carrying them inside the summation
over b, one obtains an extra factor coth(F
x
i
y
i
) if (x
i
,y
i
) is an active bond of the configuration,
i.e., if (x
i
,y
i
) ∈ b, or tanh(F
x
i
,y
i
) if (x
i
,y
i
) is inactive, i.e., (x
i
,y
i
)/∈ b:
l
i=1
∂
∂F
x
i
y
i
Z
{F
xy
},θ = π
= 2
L
D
b∈B!,
{π
x
[b] mod 2=1∀x}
l
i=1
tanh(F
x
i
y
i
)
1 − δ
b
(x
i
,y
i
)
+ coth(F
x
i
y
i
)δ
b
(x
i
,y
i
)
×
(x,y)
(x,y) /∈b
cosh(F
xy
)
(x,y)
(x,y)∈b
sinh(F
xy
), (17)
where δ
b
(x, y) = 1if(x, y) ∈ b, and 0 otherwise. Noting that
tanh(F
x
i
y
i
)
1 − δ
b
(x
i
,y
i
)
+ coth(F
x
i
y
i
)δ
b
(x
i
,y
i
) = tanh(F
x
i
y
i
)
1−2δ
b
(x
i
,y
i
)
, (18)
and setting F
xy
= F , ∀(x, y), we finally obtain
l
i=1
∂
∂F
x
i
y
i
Z
{F
xy
},θ = π
{F
xy
}={F }
= 2
L
D
b∈B!,
{π
x
[b] mod 2=1∀x}
l
i=1
tanh(F )
1−2δ
b
(x
i
,y
i
)
(x,y)
(x,y) /∈b
cosh(F )
(x,y)
(x,y)∈b
sinh(F )
= 2
L
D
cosh(F )
N [B]
b∈B!,
{π
x
[b] mod 2=1∀x}
l
i=1
tanh(F )
1−2δ
b
(x
i
,y
i
)
tanh(F )
N [b]
. (19)
Finally, denoting by [b;{x
i
,y
i
}] =
l
i=1
δ
b
(x
i
,y
i
), and dividing by the partition function,
we obtain
s
x
1
s
x
2
...s
x
2k
=
b∈B!,
{π
x
[b] mod 2=1∀x}
tanh(F )
l−2[b;{x
i
,y
i
}]
tanh(F )
N [b]
b∈B!,
{π
x
[b] mod 2=1∀x}
tanh(F )
N [b]
=
tanh(F )
l−2[b;{x
i
,y
i
}]
, (20)
where the symbol ... indicates the average taken with the probability distribution
2
P(b)=
tanh(F )
N [b]
b∈B!,
{π
x
[b] mod 2=1∀x}
tanh(F )
N [b]
. (21)
As an example, let us write down the two-point correlation function s
x
s
y
for x and y lying
on the same lattice axis, e.g., y = x + l
ˆ
1. Let C be a path connecting x and y on the lattice;
2
The proof of ergodicity in Appendix A shows that N [b] is even for any admissible configuration.
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