At zero temperature, based on the Ising model, the phase transition in a two-dimensional square lattice is studied using the generalized zero-temperature Glauber dynamics. Using Monte Carlo （MC） renormalization grou...At zero temperature, based on the Ising model, the phase transition in a two-dimensional square lattice is studied using the generalized zero-temperature Glauber dynamics. Using Monte Carlo （MC） renormalization group methods, the static critical exponents and the dynamic exponent are studied; the type of phase transition is found to be of the first order.展开更多
Building energy consumption and building carbon emissions both account for more than 20%of their total national values in China.Building employing phase change material(PCM)for passive temperature control shows a prom...Building energy consumption and building carbon emissions both account for more than 20%of their total national values in China.Building employing phase change material(PCM)for passive temperature control shows a promising prospect in meeting the comfort demand and reducing energy consumption simultaneously.However,there is a lack of more detailed research on the interaction between the location and thickness of PCM and indoor natural convection,as well as indoor temperature distribution.In this study,the numerical model of a passive temperature-controlled building integrating the developed PCM module is established with the help of ANSYS.In which,the actual weather condition of Beijing city is set as the boundary conditions and the indoor natural convection is simulated with the consideration of radiation model.The effects of PCM’s thickness and location on the internal temperature field are analyzed and discussed.The results show that the room could maintain within the human comfort temperature range with the longest ratio of 94.10%and the shortest ratio of 51.04%as integrating PCM.In comparison,the value is only 26.70%without PCM.The room’s maximum temperature fluctuation can also be improved;it could be lowered by 64.4%compared to the normal condition.When the quantity of PCM is sufficient,further increasing the PCM amount results in a temperature fluctuation reduction of less than 0.1°C and does not increase the comfort time.Placing PCM on the wall induces an apparent variation in indoor temperature along the vertical direction.Conversely,placing PCM on the roof can lead to a heat transfer rate difference of up to seven times.The optimal placement of PCM depends on the difference between the environmental and phase change temperatures.If the difference is positive,placing PCM on the roof is more effective;conversely,the opposite holds.According to the results over the entire cycle,PCM application on vertical walls yields better performance.The significant difference in natural convection caused by the same thickness of PCM but different application positions,coupled with the influence of air movement on the melting and solidification of PCM,further impacts indoor temperature fluctuations and comfort.This study can provide guidance for the application location and thickness of PCM,especially for scenarios where temperature regulation is required at a specific time.展开更多
The purpose of this work is to identify the universality class of the nonequilibrium phase transition in the two-dimensional kinetic Ising ferromagnet driven by propagating magnetic field wave. To address this issue, ...The purpose of this work is to identify the universality class of the nonequilibrium phase transition in the two-dimensional kinetic Ising ferromagnet driven by propagating magnetic field wave. To address this issue, the finite size analysis of the nonequilibrium phase transition, in two-dimensional Ising ferromagnet driven by plane propagating magnetic wave, is studied by Monte Carlo simulation. It is observed that the system undergoes a nonequilibrium dynamic phase transition from a high temperature dynamically symmetric (propagating) phase to a low temperature dynamically symmetry-broken (pinned) phase as the system is cooled below the transition temperature. This transition temperature is determined precisely by studying the fourth-order Binder Cumulant of the dynamic order parameter as a function of temperature for different system sizes (L). From the finite size analysis of dynamic order parameter ?and the dynamic susceptibility , we have estimated the critical exponents and ?(measured from the data read at the critical temperature obtained from Binder cumulant), and (measured from the peak positions of dynamic susceptibility). Our results indicate that such driven Ising ferromagnet belongs to the same universality class of the two-dimensional equilibrium Ising ferromagnet (where and ), within the limits of statistical errors.展开更多
Molecule dynamics simulation was used on HPT(2,3,6,7,10,11-hexa-n-pentyloxytriphenylene), which is a discotic Liquid crystal. From analyzing the energy and displacement varying with the temperature, the phase transiti...Molecule dynamics simulation was used on HPT(2,3,6,7,10,11-hexa-n-pentyloxytriphenylene), which is a discotic Liquid crystal. From analyzing the energy and displacement varying with the temperature, the phase transition temperature of PM6MPP can be predicted. The deviations of T-g, T-m and T-i due to the MD time scale are small enough that it should be possibly used to predict the material properties especially when more powerful computers are available.展开更多
With a view of detecting the effects of macromolecular crowding on the phase transition of DNA compaction confined in spherical space,Monte Carlo simulations of DNA compaction in free space,in confined spherical space...With a view of detecting the effects of macromolecular crowding on the phase transition of DNA compaction confined in spherical space,Monte Carlo simulations of DNA compaction in free space,in confined spherical space without crowders and in confined spherical space with crowders were performed separately.The simulation results indicate that macromolecular crowding effects on DNA compaction are dominant over the roles of multivalent counterions.In addition,effects of temperature on the phase transition of DNA compaction have been identified in confined spherical space with different radii.In confined spherical space without crowders,the temperature corresponding to phase transition depends on the radius of the confined spherical space linearly.In contrast,with the addition of crowders to the confined spherical space,effects of temperature on the phase transition of DNA compaction become insignificant,whereas the phase transition at different temperatures strongly depends on the size of crowder,and the critical volume fraction of crowders pertains to the diameter of crowder linearly.展开更多
Recent experiments [Guo et al., Phys. Rev. Lett. 124 206602(2020)] on thermodynamic properties of the frustrated layered quantum magnet SrCu_(2)(BO_(3))_(2)-the Shastry–Sutherland material-have provided strong eviden...Recent experiments [Guo et al., Phys. Rev. Lett. 124 206602(2020)] on thermodynamic properties of the frustrated layered quantum magnet SrCu_(2)(BO_(3))_(2)-the Shastry–Sutherland material-have provided strong evidence for a lowtemperature phase transition between plaquette-singlet and antiferromagnetic order as a function of pressure. Further motivated by the recently discovered unusual first-order quantum phase transition with an apparent emergent O(4) symmetry of the antiferromagnetic and plaquette-singlet order parameters in a two-dimensional "checkerboard J-Q" quantum spin model[Zhao et al., Nat. Phys. 15 678(2019)], we here study the same model in the presence of weak inter-layer couplings. Our focus is on the evolution of the emergent symmetry as the system crosses over from two to three dimensions and the phase transition extends from strictly zero temperature in two dimensions up to finite temperature as expected in SrCu_(2)(BO_(3))_(2).Using quantum Monte Carlo simulations, we map out the phase boundaries of the plaquette-singlet and antiferromagnetic phases, with particular focus on the triple point where these two ordered phases meet the paramagnetic phase for given strength of the inter-layer coupling. All transitions are first-order in the neighborhood of the triple point. We show that the emergent O(4) symmetry of the coexistence state breaks down clearly when the interlayer coupling becomes sufficiently large, but for a weak coupling, of the magnitude expected experimentally, the enlarged symmetry can still be observed at the triple point up to significant length scales. Thus, it is likely that the plaquette-singlet to antiferromagnetic transition in SrCu_(2)(BO_(3))_(2) exhibits remnants of emergent O(4) symmetry, which should be observable due to additional weakly gapped Goldstone modes.展开更多
A new crystalline complex （C8H17NH3）2CdCI4（s） （abbreviated as CsCd（s）） is synthesized by liquid phase reaction. The crystal structure and composition of the complex are determined by single crystal X-ray diffr...A new crystalline complex （C8H17NH3）2CdCI4（s） （abbreviated as CsCd（s）） is synthesized by liquid phase reaction. The crystal structure and composition of the complex are determined by single crystal X-ray diffraction, chemical analysis, and elementary analysis. It is triclinic, the space group is P-1 and Z = 2. The lattice potential energy of the title complex is calculated to be UpoT （CsCd（s））=978.83 kJ.mol^-1 from crystallographic data. Low-temperature heat capacities of the complex are measured by using a precision automatic adiabatic calorimeter over a temperature range from 78 K to 384 K. The temperature, molar enthalpy, and entropy of the phase transition for the complex are determined to be 307.3±0.15 K, 10.15±0.23 kJ.mol^-1, and 33.054-0.78 J.K^-1.mol^-1 respectively for the endothermic peak. Two polynomial equations of the heat capacities each as a function of temperature are fitted by using the leastsquare method. Smoothed heat capacity and thermodynamic functions of the complex are calculated based on the fitted polynomials.展开更多
The adsorption of O on Ru(0001) is studied by means of Monte Carlo simulation of lattice gas model on a triangular lattice. A recent STM study shows that at low coverage the p(2 × 2) structure grows via island fo...The adsorption of O on Ru(0001) is studied by means of Monte Carlo simulation of lattice gas model on a triangular lattice. A recent STM study shows that at low coverage the p(2 × 2) structure grows via island formation but the p(2 × 1) structure is abruptly formed at a critical coverage. Moreover, it also shows that there is a coexistence of the p(2 × 2) and p(2 × 1) structures. The above results seem not to coincide with the former studies of the svstem by both the LEED and Monte Carlo simulation. We therefore carried out the Monte Carlo study for the system again in the present paper and found that our simulation almost agrees with the results of the STM.展开更多
Using a Monte Carlo simulation and the single histogram reweighting technique,we study the critical behaviors and phase transitions of the Baxter-Wu(BW)model on a two-layer triangular lattice with Ising-type interlaye...Using a Monte Carlo simulation and the single histogram reweighting technique,we study the critical behaviors and phase transitions of the Baxter-Wu(BW)model on a two-layer triangular lattice with Ising-type interlayer couplings.Via the finite-size analysis,we obtain the transition temperatures and critical exponents at repulsive and attractive interlayer couplings.The data for the repulsive interlayer coupling suggest continuous transitions,and the critical behaviors are the same as those of the 2D BW model,belonging to the four-state Potts universality class.The reduced energy cumulants and the histograms reveal that attractive coupling leads to weak firstorder phase transitions.The pseudocritical exponents with the existence of the interlayer couplings indicate that the first-order transition is very close to the critical point of the 2D standard BW model.展开更多
文摘At zero temperature, based on the Ising model, the phase transition in a two-dimensional square lattice is studied using the generalized zero-temperature Glauber dynamics. Using Monte Carlo （MC） renormalization group methods, the static critical exponents and the dynamic exponent are studied; the type of phase transition is found to be of the first order.
基金supported by National Innovation Talent Promotion Program(G2022013028L).
文摘Building energy consumption and building carbon emissions both account for more than 20%of their total national values in China.Building employing phase change material(PCM)for passive temperature control shows a promising prospect in meeting the comfort demand and reducing energy consumption simultaneously.However,there is a lack of more detailed research on the interaction between the location and thickness of PCM and indoor natural convection,as well as indoor temperature distribution.In this study,the numerical model of a passive temperature-controlled building integrating the developed PCM module is established with the help of ANSYS.In which,the actual weather condition of Beijing city is set as the boundary conditions and the indoor natural convection is simulated with the consideration of radiation model.The effects of PCM’s thickness and location on the internal temperature field are analyzed and discussed.The results show that the room could maintain within the human comfort temperature range with the longest ratio of 94.10%and the shortest ratio of 51.04%as integrating PCM.In comparison,the value is only 26.70%without PCM.The room’s maximum temperature fluctuation can also be improved;it could be lowered by 64.4%compared to the normal condition.When the quantity of PCM is sufficient,further increasing the PCM amount results in a temperature fluctuation reduction of less than 0.1°C and does not increase the comfort time.Placing PCM on the wall induces an apparent variation in indoor temperature along the vertical direction.Conversely,placing PCM on the roof can lead to a heat transfer rate difference of up to seven times.The optimal placement of PCM depends on the difference between the environmental and phase change temperatures.If the difference is positive,placing PCM on the roof is more effective;conversely,the opposite holds.According to the results over the entire cycle,PCM application on vertical walls yields better performance.The significant difference in natural convection caused by the same thickness of PCM but different application positions,coupled with the influence of air movement on the melting and solidification of PCM,further impacts indoor temperature fluctuations and comfort.This study can provide guidance for the application location and thickness of PCM,especially for scenarios where temperature regulation is required at a specific time.
文摘The purpose of this work is to identify the universality class of the nonequilibrium phase transition in the two-dimensional kinetic Ising ferromagnet driven by propagating magnetic field wave. To address this issue, the finite size analysis of the nonequilibrium phase transition, in two-dimensional Ising ferromagnet driven by plane propagating magnetic wave, is studied by Monte Carlo simulation. It is observed that the system undergoes a nonequilibrium dynamic phase transition from a high temperature dynamically symmetric (propagating) phase to a low temperature dynamically symmetry-broken (pinned) phase as the system is cooled below the transition temperature. This transition temperature is determined precisely by studying the fourth-order Binder Cumulant of the dynamic order parameter as a function of temperature for different system sizes (L). From the finite size analysis of dynamic order parameter ?and the dynamic susceptibility , we have estimated the critical exponents and ?(measured from the data read at the critical temperature obtained from Binder cumulant), and (measured from the peak positions of dynamic susceptibility). Our results indicate that such driven Ising ferromagnet belongs to the same universality class of the two-dimensional equilibrium Ising ferromagnet (where and ), within the limits of statistical errors.
文摘Molecule dynamics simulation was used on HPT(2,3,6,7,10,11-hexa-n-pentyloxytriphenylene), which is a discotic Liquid crystal. From analyzing the energy and displacement varying with the temperature, the phase transition temperature of PM6MPP can be predicted. The deviations of T-g, T-m and T-i due to the MD time scale are small enough that it should be possibly used to predict the material properties especially when more powerful computers are available.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11464004 and 11864006)the State Scholarship Fund,China(Grant No.20173015)Guizhou Scientific and Technological Program,China(Grant No.20185781)
文摘With a view of detecting the effects of macromolecular crowding on the phase transition of DNA compaction confined in spherical space,Monte Carlo simulations of DNA compaction in free space,in confined spherical space without crowders and in confined spherical space with crowders were performed separately.The simulation results indicate that macromolecular crowding effects on DNA compaction are dominant over the roles of multivalent counterions.In addition,effects of temperature on the phase transition of DNA compaction have been identified in confined spherical space with different radii.In confined spherical space without crowders,the temperature corresponding to phase transition depends on the radius of the confined spherical space linearly.In contrast,with the addition of crowders to the confined spherical space,effects of temperature on the phase transition of DNA compaction become insignificant,whereas the phase transition at different temperatures strongly depends on the size of crowder,and the critical volume fraction of crowders pertains to the diameter of crowder linearly.
基金the support from the RGC of Hong Kong SAR China (Grant Nos. GRF 17303019 and 17301420)the National Key Research and Development Program of China (Grant No. 2016YFA0300502)+3 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No. XDB33000000)support from the National Natural Science Foundation of China (Grant No. 12004020)AWS was supported by the NSF (Grant No. DMR-1710170)by the Simons Foundation (Grant No. 511064)。
文摘Recent experiments [Guo et al., Phys. Rev. Lett. 124 206602(2020)] on thermodynamic properties of the frustrated layered quantum magnet SrCu_(2)(BO_(3))_(2)-the Shastry–Sutherland material-have provided strong evidence for a lowtemperature phase transition between plaquette-singlet and antiferromagnetic order as a function of pressure. Further motivated by the recently discovered unusual first-order quantum phase transition with an apparent emergent O(4) symmetry of the antiferromagnetic and plaquette-singlet order parameters in a two-dimensional "checkerboard J-Q" quantum spin model[Zhao et al., Nat. Phys. 15 678(2019)], we here study the same model in the presence of weak inter-layer couplings. Our focus is on the evolution of the emergent symmetry as the system crosses over from two to three dimensions and the phase transition extends from strictly zero temperature in two dimensions up to finite temperature as expected in SrCu_(2)(BO_(3))_(2).Using quantum Monte Carlo simulations, we map out the phase boundaries of the plaquette-singlet and antiferromagnetic phases, with particular focus on the triple point where these two ordered phases meet the paramagnetic phase for given strength of the inter-layer coupling. All transitions are first-order in the neighborhood of the triple point. We show that the emergent O(4) symmetry of the coexistence state breaks down clearly when the interlayer coupling becomes sufficiently large, but for a weak coupling, of the magnitude expected experimentally, the enlarged symmetry can still be observed at the triple point up to significant length scales. Thus, it is likely that the plaquette-singlet to antiferromagnetic transition in SrCu_(2)(BO_(3))_(2) exhibits remnants of emergent O(4) symmetry, which should be observable due to additional weakly gapped Goldstone modes.
基金Project supported by the National Natural Science Foundations of China (Grant Nos. 20673050 and 20973089)
文摘A new crystalline complex （C8H17NH3）2CdCI4（s） （abbreviated as CsCd（s）） is synthesized by liquid phase reaction. The crystal structure and composition of the complex are determined by single crystal X-ray diffraction, chemical analysis, and elementary analysis. It is triclinic, the space group is P-1 and Z = 2. The lattice potential energy of the title complex is calculated to be UpoT （CsCd（s））=978.83 kJ.mol^-1 from crystallographic data. Low-temperature heat capacities of the complex are measured by using a precision automatic adiabatic calorimeter over a temperature range from 78 K to 384 K. The temperature, molar enthalpy, and entropy of the phase transition for the complex are determined to be 307.3±0.15 K, 10.15±0.23 kJ.mol^-1, and 33.054-0.78 J.K^-1.mol^-1 respectively for the endothermic peak. Two polynomial equations of the heat capacities each as a function of temperature are fitted by using the leastsquare method. Smoothed heat capacity and thermodynamic functions of the complex are calculated based on the fitted polynomials.
文摘The adsorption of O on Ru(0001) is studied by means of Monte Carlo simulation of lattice gas model on a triangular lattice. A recent STM study shows that at low coverage the p(2 × 2) structure grows via island formation but the p(2 × 1) structure is abruptly formed at a critical coverage. Moreover, it also shows that there is a coexistence of the p(2 × 2) and p(2 × 1) structures. The above results seem not to coincide with the former studies of the svstem by both the LEED and Monte Carlo simulation. We therefore carried out the Monte Carlo study for the system again in the present paper and found that our simulation almost agrees with the results of the STM.
基金This work is supported by the National Science Foundation of China(Grant Nos.11405127 and 11904282).
文摘Using a Monte Carlo simulation and the single histogram reweighting technique,we study the critical behaviors and phase transitions of the Baxter-Wu(BW)model on a two-layer triangular lattice with Ising-type interlayer couplings.Via the finite-size analysis,we obtain the transition temperatures and critical exponents at repulsive and attractive interlayer couplings.The data for the repulsive interlayer coupling suggest continuous transitions,and the critical behaviors are the same as those of the 2D BW model,belonging to the four-state Potts universality class.The reduced energy cumulants and the histograms reveal that attractive coupling leads to weak firstorder phase transitions.The pseudocritical exponents with the existence of the interlayer couplings indicate that the first-order transition is very close to the critical point of the 2D standard BW model.
