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受限在拟圆柱孔中的伊辛铁磁体的临界行为:蒙特卡罗研究。

Critical behaviour of the Ising ferromagnet confined in quasi-cylindrical pores: a Monte Carlo study.

机构信息

Instituto de Física de Líquidos y Sistemas Biológicos (IFLYSIB), Universidad Nacional de La Plata, CONICET CCT-La Plata, Calle 59 Nro 789, (1900) La Plata, Argentina.

出版信息

J Chem Phys. 2013 Oct 21;139(15):154706. doi: 10.1063/1.4821826.

Abstract

The critical behaviour of the Ising ferromagnet confined in pores of radius R and length L is studied by means of Monte Carlo computer simulations. Quasi-cylindrical pores are obtained by replicating n-times a triangular lattice disc of radius R, where L = na and a is the spacing between consecutive replications. So, spins placed at the surface of the pores have less nearest-neighbours (NN) as compared to 8 NN for spins in the bulk. These "missing neighbour" effects undergone by surface spins cause a strong suppression of surface ordering, leading to an ordinary surface transition. Also, the effect propagates into the bulk for small tubes (R ≤ 12) and the effective critical temperature of the pores is shifted towards lower values than in the bulk case. By applying the standard finite-size scaling theory, subsequently supported by numerical data, we concluded that data collapse of relevant observables, e.g., magnetization (m), susceptibility, specific heat, etc., can only be observed by comparing simulation results obtained by keeping the aspect ratio C ≡ R∕L constant. Also, by extrapolating "effective" R-dependent critical temperatures to the thermodynamic limit (R → ∞, C fixed), we obtained T(C)(∞) = 6.208(4). As suggested by finite-size scaling arguments, the magnetization is measured at the critical point scales according to [|m|]Tc R(β/ν) is proportional to R/L, where β and ν are the standard exponents for the order parameter and the correlation length, respectively. Furthermore, it is shown that close to criticality the axial correlation length decreases exponentially with the distance. That result is the signature of the formation of (randomly distributed) alternating domains of different magnetization, which can be directly observed by means of snapshot configurations, whose typical length (ξ) is given by the characteristic length of the exponential decay of correlations. Moreover, we show that at criticality ξ = 0.43(2)R.

摘要

通过蒙特卡罗计算机模拟研究了受限在半径为 R 和长度为 L 的孔中的伊辛铁磁体的临界行为。通过复制 n 次半径为 R 的三角形晶格圆盘来获得准圆柱孔,其中 L = na,a 是相邻复制之间的间距。因此,与体相中的 8 个最近邻相比,位于孔表面的自旋具有较少的最近邻(NN)。表面自旋经历的这些“缺失邻居”效应导致表面有序性的强烈抑制,导致普通的表面转变。此外,对于小直径管(R ≤ 12),这种效应会传播到体相中,并且孔的有效临界温度会向低于体相的温度移动。通过应用标准的有限尺寸标度理论,随后由数值数据支持,我们得出结论,只有通过比较保持纵横比 C ≡ R∕L 不变时获得的模拟结果,才能观察到相关可观测量(例如磁化强度(m)、磁化率、比热等)的数据崩溃。此外,通过将“有效”R 相关临界温度外推到热力学极限(R → ∞,C 固定),我们得到 T(C)(∞) = 6.208(4)。正如有限尺寸标度论点所表明的那样,在临界点测量的磁化强度根据 [|m|]Tc R(β/ν) 按 R/L 比例缩放,其中β和ν分别是有序参数和相关长度的标准指数。此外,结果表明,在接近临界点时,轴向相关长度随距离呈指数下降。该结果是形成(随机分布)不同磁化的交替畴的特征,通过快照配置可以直接观察到这一结果,其典型长度(ξ)由相关性指数衰减的特征长度给出。此外,我们还表明,在临界点ξ = 0.43(2)R。

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