Pub Date : 2025-09-12DOI: 10.1140/epjb/s10051-025-01030-0
Alessio Squarcini, Piotr Nowakowski, Douglas B. Abraham, Anna Maciołek
We employ a procedure that enables us to calculate the excess free energies for a finite Ising cylinder with domain walls analytically. This procedure transparently covers all possible configurations of the domain walls under given boundary conditions and allows for a physical interpretation in terms of coarse-grained quantities such as surface and point tensions. The resulting integrals contain all the information about finite-size effects; we extract them by careful asymptotic analysis using the steepest descent method. To this end, we exactly determine the steepest descent path and analyse its features. For the general class of integrals, which are usually found in the study of systems with inclined domain walls, knowledge of the steepest descent path is necessary to detect possible intersections with poles of the integrand in the complex plane.
{"title":"Partition function for several Ising model interface structures","authors":"Alessio Squarcini, Piotr Nowakowski, Douglas B. Abraham, Anna Maciołek","doi":"10.1140/epjb/s10051-025-01030-0","DOIUrl":"10.1140/epjb/s10051-025-01030-0","url":null,"abstract":"<p>We employ a procedure that enables us to calculate the excess free energies for a finite Ising cylinder with domain walls analytically. This procedure transparently covers all possible configurations of the domain walls under given boundary conditions and allows for a physical interpretation in terms of coarse-grained quantities such as surface and point tensions. The resulting integrals contain all the information about finite-size effects; we extract them by careful asymptotic analysis using the steepest descent method. To this end, we exactly determine the steepest descent path and analyse its features. For the general class of integrals, which are usually found in the study of systems with inclined domain walls, knowledge of the steepest descent path is necessary to detect possible intersections with poles of the integrand in the complex plane.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145037277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-11DOI: 10.1140/epjb/s10051-025-01006-0
Ning Liu, Min He, Yinchang Zhao, Jun Ni, Zhenhong Dai
We systematically investigate the mechanical, electronic, and thermoelectric properties of the half-Heusler compound KBaBi using first-principles methods, including self-consistent phonon theory and the Boltzmann transport equation. Our results demonstrate that KBaBi maintains good thermal and mechanical stability at elevated temperatures. Importantly, this study incorporates higher-order anharmonic effects, especially four-phonon scattering, which are manifestations of nonlinear lattice dynamics. These nonlinear interactions drastically suppress the lattice thermal conductivity, reducing it to as low as 0.49 Wm(^{-1})K(^{-1}) at 800K. For electronic transport, we account for multiple scattering mechanisms to determine carrier relaxation times with improved accuracy. High band degeneracy near the valence band maximum leads to a large Seebeck coefficient under p-type doping. A peak dimensionless figure of merit zT of 3.22 is achieved at 800 K, highlighting KBaBi as a promising thermoelectric material with strong nonlinear phonon-limited thermal transport behavior.
本文采用第一性原理方法,包括自相容声子理论和玻尔兹曼输运方程,系统地研究了半赫斯勒化合物KBaBi的力学、电子和热电性质。结果表明,KBaBi在高温下保持了良好的热稳定性和机械稳定性。重要的是,该研究纳入了高阶非谐波效应,特别是四声子散射,这是非线性晶格动力学的表现。这些非线性相互作用极大地抑制了晶格热导率,在800K时将其降低到0.49 Wm (^{-1}) K (^{-1})。对于电子输运,我们考虑了多种散射机制,以提高精度确定载流子弛豫时间。在价带最大值附近的高能带简并导致了p型掺杂下的大塞贝克系数。在800 K时,KBaBi的峰值无量纲值zT为3.22,这表明KBaBi是一种很有前途的热电材料,具有很强的非线性声子限制热输运行为。
{"title":"Unveiling the thermoelectric potential of KBaBi: a dive into high-temperature stability and thermoelectric performance","authors":"Ning Liu, Min He, Yinchang Zhao, Jun Ni, Zhenhong Dai","doi":"10.1140/epjb/s10051-025-01006-0","DOIUrl":"10.1140/epjb/s10051-025-01006-0","url":null,"abstract":"<p>We systematically investigate the mechanical, electronic, and thermoelectric properties of the half-Heusler compound KBaBi using first-principles methods, including self-consistent phonon theory and the Boltzmann transport equation. Our results demonstrate that KBaBi maintains good thermal and mechanical stability at elevated temperatures. Importantly, this study incorporates higher-order anharmonic effects, especially four-phonon scattering, which are manifestations of nonlinear lattice dynamics. These nonlinear interactions drastically suppress the lattice thermal conductivity, reducing it to as low as 0.49 Wm<span>(^{-1})</span>K<span>(^{-1})</span> at 800K. For electronic transport, we account for multiple scattering mechanisms to determine carrier relaxation times with improved accuracy. High band degeneracy near the valence band maximum leads to a large Seebeck coefficient under p-type doping. A peak dimensionless figure of merit <i>zT</i> of 3.22 is achieved at 800 K, highlighting KBaBi as a promising thermoelectric material with strong nonlinear phonon-limited thermal transport behavior.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145037068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-10DOI: 10.1140/epjb/s10051-025-01033-x
Yuichi Itto
Recently, a formal analogy between the fluctuating diffusivity and thermodynamics has been proposed based on phenomena of heterogeneous diffusion observed in living cells. This not only offers the analogs of the quantity of heat and work as well as the internal energy but also achieves that of the Clausius inequality for the entropy concerning diffusivity fluctuations. Here, a discussion is developed about constructing a heat-like engine in terms of the fluctuating diffusivity. The engine constitutes two kinds of processes with the average diffusivity or the average local temperature being kept fixed, along which the fluctuation distribution obeys an exponential law. The efficiency of the engine in a cycle, which quantifies how much the diffusivity change as the analog of work can be extracted, is found to formally coincide with that of Carnot’s. During the cycle, the total change of the entropy is also shown to vanish.
{"title":"Analog of the Carnot engine for fluctuating diffusivity in living cells","authors":"Yuichi Itto","doi":"10.1140/epjb/s10051-025-01033-x","DOIUrl":"10.1140/epjb/s10051-025-01033-x","url":null,"abstract":"<p>Recently, a formal analogy between the fluctuating diffusivity and thermodynamics has been proposed based on phenomena of heterogeneous diffusion observed in living cells. This not only offers the analogs of the quantity of heat and work as well as the internal energy but also achieves that of the Clausius inequality for the entropy concerning diffusivity fluctuations. Here, a discussion is developed about constructing a heat-like engine in terms of the fluctuating diffusivity. The engine constitutes two kinds of processes with the average diffusivity or the average local temperature being kept fixed, along which the fluctuation distribution obeys an exponential law. The efficiency of the engine in a cycle, which quantifies how much the diffusivity change as the analog of work can be extracted, is found to formally coincide with that of Carnot’s. During the cycle, the total change of the entropy is also shown to vanish.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145028387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-07DOI: 10.1140/epjb/s10051-025-01005-1
Alejandro Rivero, Alfonso Tarancón, Carlos Tarancón
In collective local interaction systems with agents assigned to different profiles (categories, traits), the distribution of such profiles in the neighbourhood of any agent affects the exchange of ideas, a basic element in Collective Intelligence experiments. It is important to control this distribution experimentally, asking for criteria that should range from maximum homogeneity to maximum difference. We suggest a method where we obtain these criteria by adding an extra interaction term to the Q-state Potts model, producing a rich vacuum structure. By controlling the two parameters of the model, we can obtain different patterns for the geometrical distribution of the agents. We study the transitions and phase diagram of this model, considering the physics at constant magnetization, and show that the states correspond to a large diversity of mixing patterns, directly applicable to agent distribution in CI experiments.
{"title":"Geometrical distribution of agents based on a generalised Potts model","authors":"Alejandro Rivero, Alfonso Tarancón, Carlos Tarancón","doi":"10.1140/epjb/s10051-025-01005-1","DOIUrl":"10.1140/epjb/s10051-025-01005-1","url":null,"abstract":"<p>In collective local interaction systems with agents assigned to different profiles (categories, traits), the distribution of such profiles in the neighbourhood of any agent affects the exchange of ideas, a basic element in Collective Intelligence experiments. It is important to control this distribution experimentally, asking for criteria that should range from maximum homogeneity to maximum difference. We suggest a method where we obtain these criteria by adding an extra interaction term to the Q-state Potts model, producing a rich vacuum structure. By controlling the two parameters of the model, we can obtain different patterns for the geometrical distribution of the agents. We study the transitions and phase diagram of this model, considering the physics at constant magnetization, and show that the states correspond to a large diversity of mixing patterns, directly applicable to agent distribution in CI experiments.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"98 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1140/epjb/s10051-025-01005-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-05DOI: 10.1140/epjb/s10051-025-01026-w
F. Djeghloul, Y. Messai, Y. Medkour, A. Zahir, A. Djabou, N. Bouarissa, A. Manseri, A. Zouaoui
The environmentally friendly synthesis of cupric oxide nanoparticles using biological approaches has shown great promise as an alternative to expensive and user-unfriendly conventional methods. In this study, bee pollen extract was used for the first time as a simple and economical method for the biosynthesis of CuO nanoparticles at room temperature without the adding of harmful chemical solvents. The effect of the amount of BP on the structural, optical, and morphological properties of CuO nanoparticles was examined using different analytical methods. According to the XRD results, CuO nanoparticles prepared with the lowest amount of BP exhibited the smallest average size (19.57 nm), maximum dislocation and micro strain density, and a high degree of crystallinity. FTIR results confirmed that the Cu–O bond was formed by the possible functional groups of the biomolecules present in the bee pollen extract. UV and visible emission peaks were observed in the PL spectra, demonstrating the good optical properties of the BP products. It was found that the optical energy band gap decreased from 1.485 eV to 1.408 eV as the amount of BP increased. Moreover, the amount of BP significantly influenced the morphological properties of the CuO nanoparticles. At low amounts, spherical and pseudo-spherical shapes of CuO nanoparticles were observed, while at higher amounts, strong aggregation/agglomeration of these nanoparticles was observed. The purity of the as-synthesized CuO nanoparticles was assessed by EDX characterization.