The European Physical Journal B最新文献

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Effects of group size and noise on cooperation in population evolution of dynamic groups 群体规模和噪音对动态群体种群进化中合作的影响
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-10-09 DOI: 10.1140/epjb/s10051-024-00787-0
Hong-Bin Zhang, Deng-Ping Tang
{"title":"Effects of group size and noise on cooperation in population evolution of dynamic groups","authors":"Hong-Bin Zhang,&nbsp;Deng-Ping Tang","doi":"10.1140/epjb/s10051-024-00787-0","DOIUrl":"10.1140/epjb/s10051-024-00787-0","url":null,"abstract":"<p>We consider a large population of <span>(textit{M})</span> agents, who are randomly selected to form size-distributed groups from time to time, and the grouped agents engage in the Public Goods Game (PGG). The size <span>(textit{g})</span> of the group is within <span>(textit{g}_textit{l})</span> and <span>(textit{g}_textit{h})</span>, where <span>(textit{g}_textit{l})</span> and <span>(textit{g}_textit{h})</span> are the lower and upper limits of the group size, respectively. Players have two strategies to choose, i.e., to cooperate (C), or to defect (D). Based on the dynamic grouping, we investigate the cooperative behavior of the system, and the results show that the frequency of cooperation is greatly affected by the noise intensity and group size distribution. In the evolutionary process, the payoffs of the cooperators (defectors) mainly depend on the strategy selection implemented by the death-birth process. For <span>(textit{g}in text {[1,3]})</span>, different noise intensities <span>(textit{K})</span> induce different dynamic behaviors together with the multiplication factor <span>(textit{r})</span>. For <span>(textit{g}in text {[1,5]})</span>, the system may evolve to one of the bistable states (one is the totally cooperative state and the other is a mixed state with cooperators and defectors) starting from different initial concentrations of cooperation. The results of numerical computation seems to fit well with the simulation data. Furthermore, for <span>(K=1.0)</span> and <span>(g in [1,5])</span>, we still observe the phenomenon of hysteresis effect where the system just reaches to the totally cooperative state slowly after a period of delay with increasing multiplication factor <i>r</i>. In addition, when one D-player tries to invade the C-population, there exists a critical game parameter <span>(textit{r}_textit{invade})</span>, below which the C-population will be invaded. We also study how the critical game parameter relies on the noise intensity and the group size distribution.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142410970","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}
引用次数: 0
An ab-initio study of nodal-arcs, axial strain’s effect on nodal-lines and Weyl nodes and Weyl-contributed Seebeck coefficient in TaAs class of Weyl semimetals 对 TaAs 类韦尔半金属中的结弧、轴向应变对结线和韦尔结点的影响以及韦尔贡献的塞贝克系数的模拟研究
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-10-08 DOI: 10.1140/epjb/s10051-024-00788-z
Vivek Pandey, Sudhir K. Pandey
{"title":"An ab-initio study of nodal-arcs, axial strain’s effect on nodal-lines and Weyl nodes and Weyl-contributed Seebeck coefficient in TaAs class of Weyl semimetals","authors":"Vivek Pandey,&nbsp;Sudhir K. Pandey","doi":"10.1140/epjb/s10051-024-00788-z","DOIUrl":"10.1140/epjb/s10051-024-00788-z","url":null,"abstract":"<p>This work establishes the existence of dispersive <i>nodal-arcs</i> and their evolution into Weyl nodes under the effect of spin-orbit coupling (SOC) in NbAs and NbP. The obtained features mimic the observations as reported for TaAs and TaP in our previous work (Pandey in J Phys Condens Matter 35:455501, 2023). In addition, this work reports that the number of nodes in the TaAs class of Weyl semimetals (WSMs) can be altered by creating strain along <i>a</i> or <i>c</i> direction of the crystals. For instance, the number of nodes in NbAs under SOC-effect along with 2% (3%) tensile-strain in <i>a</i> direction is found to be 40 (56) in its full Brillouin zone (BZ). Besides the nodes, such strain are found to have considerable impact on the nodal-lines of these WSMs when effect of SOC is ignored. In the absence of SOC, a 3% tensile (compressive) strain along the <i>a</i> (<i>c</i>) direction leads to the partially merging of nodal-lines in the extended BZ of NbAs and NbP, which is not observed in TaAs and TaP within the range of – 3% to 3% strain. Apart from this, the work discusses the role of Weyl physics in affecting the Seebeck coefficient (<i>S</i>) of any WSM. In this direction, it is discussed that how a symmetric Weyl cone, even if tilted, will have no contribution to the <i>S</i> of WSMs. Furthermore, the work highlights the conditions under which a Weyl cone can contribute to the <i>S</i> of a given WSM. Next, the discussion of Weyl contribution to <i>S</i> is validated over TaAs class of WSMs via investigating the features of their Weyl cones and calculating the contributions of such cones to the <i>S</i> of these semimetals. Weyl-cone contributed <i>S</i> in these WSMs is found to be anisotropic within the temperature range of 0–100 K. The value of <i>S</i> contributed from Weyl cone is found to be as large as <span>(sim )</span>70 <span>(mu )</span><i>V</i>/<i>K</i> below 25 K in case of NbP. Lastly, the expected effect of axial strain and change in SOC-strength on <i>S</i> of TaAs class of WSMs is discussed. The findings of this work present a possibility of engineering the topological properties of TaAs class of WSMs via creating strain in their crystal. It also makes the picture of Weyl physics’  impact on the <i>S</i> of WSMs a more clear.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142410745","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}
引用次数: 0
Statistical analysis of proteins families: a network and random matrix approach 蛋白质家族的统计分析:网络和随机矩阵方法
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-10-07 DOI: 10.1140/epjb/s10051-024-00781-6
Rakhi Kumari, Pradeep Bhadola, Nivedita Deo
{"title":"Statistical analysis of proteins families: a network and random matrix approach","authors":"Rakhi Kumari,&nbsp;Pradeep Bhadola,&nbsp;Nivedita Deo","doi":"10.1140/epjb/s10051-024-00781-6","DOIUrl":"10.1140/epjb/s10051-024-00781-6","url":null,"abstract":"<p>We present a novel method for analyzing the structural organization of protein families by integrating random matrix theory (RMT) and network theory with the physiochemical properties of amino acids and multiple sequence alignment. RMT distinguishes significant interactions between amino acids from background noise, pinpointing coevolving positions likely crucial for protein structure and function. This property-based approach captures both short and long-range correlations, unlike previous methods that treat amino acids as mere characters. The eigenvector components of eigenvalues outside the RMT bound deviate from typical RMT observations, offering critical system information. We quantify the information content of each eigenvector using an entropic estimate, showing that the smallest eigenvectors are highly localized and informative. These eigenvectors form clusters of biologically and structurally significant positions, validated by experiments. By creating networks of amino acid interactions for each property, we uncover key motifs and interactions. This method enhances our understanding of protein evolution, interactions, and potential targets to modulate enzymatic actions. We study two protein families Cadherin-4 and Betalactamase families which display two extreme characteristics one nearly random and the other very structured or organised.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142410408","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}
引用次数: 0
Effect of laser parameters on the structural properties of gadolinium oxide nanoparticles synthesis via pulsed laser ablation in liquid 激光参数对液态脉冲激光烧蚀合成氧化钆纳米粒子结构特性的影响
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-10-04 DOI: 10.1140/epjb/s10051-024-00783-4
Mayyadah H. Mohsin, Khawla S. Khashan, Ghassan M. Sulaiman
{"title":"Effect of laser parameters on the structural properties of gadolinium oxide nanoparticles synthesis via pulsed laser ablation in liquid","authors":"Mayyadah H. Mohsin,&nbsp;Khawla S. Khashan,&nbsp;Ghassan M. Sulaiman","doi":"10.1140/epjb/s10051-024-00783-4","DOIUrl":"10.1140/epjb/s10051-024-00783-4","url":null,"abstract":"<div><p>This study thoroughly investigates the characterization of cubic gadolinium oxide nanoparticles (c-Gd<sub>2</sub>O<sub>3</sub>NPs) synthesized via laser ablation and fragmentation in liquid, emphasizing the impact of laser fluence and wavelength on nanoparticle morphology. FESEM and HRTEM analyses reveal significant morphological variations, including the formation of nanotubes and nanoflakes, in response to different laser fluences. XRD analysis identifies distinct phases of c-Gd<sub>2</sub>O<sub>3</sub>NPs, with prominent reflections in the cubic phase and additional reflections in the monoclinic phase. Utilizing a second harmonic wavelength (532 nm) results in higher laser fluence compared to the fundamental wavelength (1064 nm), leading to more efficient ablation and fragmentation. This produces smaller, more uniform nanoparticles with enhanced optical properties, such as increased absorbance and transmittance. The 532 nm wavelength notably influences NPs size and shape, resulting in smaller particles with controlled size distribution and morphology. This modification leads to distinct absorbance and transmittance characteristics, often causing a blue shift in the absorption edge due to the quantum confinement effect, where the energy band gap increases as particle size decreases. These findings contribute to refining the synthesis process and enhancing the understanding of the mechanisms governing NP formation. This knowledge guides the synthesis procedure and harnesses tailored features of c-Gd<sub>2</sub>O<sub>3</sub>NPs for improved performance in various applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409865","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}
引用次数: 0
Phonon-drag thermopower in GaAs/AlGaAs quantum wells 砷化镓/砷化镓量子阱中的声子拖曳热功率
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-10-04 DOI: 10.1140/epjb/s10051-024-00790-5
M. M. Babayev, B. H. Mehdyev, Kh. B. Sultanova
{"title":"Phonon-drag thermopower in GaAs/AlGaAs quantum wells","authors":"M. M. Babayev,&nbsp;B. H. Mehdyev,&nbsp;Kh. B. Sultanova","doi":"10.1140/epjb/s10051-024-00790-5","DOIUrl":"10.1140/epjb/s10051-024-00790-5","url":null,"abstract":"<div><p>Thermopower in a semiconductor quantum well with the modified Pöschl–Teller confining potential is calculated, taking into account the drag of electrons by phonons. Based on the obtained theoretical results, the temperature dependence of thermopower in a <span>(text{GaAs}/{text{Al}}_{x}{text{Ga}}_{1-x}As)</span> quantum well at low temperatures has been studied. Numerical calculations show that our theoretical results are in good agreement with experimental ones. This indicates that the modified Pöschl–Teller potential describes well the confinement potential in semiconductor quantum wells.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409866","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}
引用次数: 0
XY-VBS phase boundary for the square-lattice (J_1)-(J_2) XXZ model with the ring exchange 具有环交换的方晶格(J_1)-(J_2)XXZ 模型的 XY-VBS 相边界
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-10-03 DOI: 10.1140/epjb/s10051-024-00793-2
Yoshihiro Nishiyama
{"title":"XY-VBS phase boundary for the square-lattice (J_1)-(J_2) XXZ model with the ring exchange","authors":"Yoshihiro Nishiyama","doi":"10.1140/epjb/s10051-024-00793-2","DOIUrl":"10.1140/epjb/s10051-024-00793-2","url":null,"abstract":"<p>The square-lattice <span>(J_1)</span>-<span>(J_2)</span> <i>XXZ</i> model with the ring-exchange interaction <i>K</i> was investigated numerically. As for the hard-core-boson model with the nearest-neighbor hopping <span>(J_1/2)</span>, namely, the <span>(J_1)</span>-<i>K</i> <i>XY</i> model, it has been reported that the ring exchange leads to a variety of exotic phases such as the valence-bond-solid (VBS) phase. In this paper, we extend the parameter space to investigate the phase boundary between the <i>XY</i> (superfluid) and VBS phases. A notable feature is that the phase boundary terminates at the fully frustrated point, <span>(J_2/J_1 rightarrow 0.5^-)</span>. As a scaling parameter for the multi-criticality, the distance from the multi-critical point <span>(delta (ge 0))</span> is introduced. To detect the phase transition, we employed the high-order fidelity susceptibility <span>(chi ^{(3)}_F)</span>, which is readily evaluated via the exact-diagonalization scheme. As a demonstration, for a fixed value of <span>(delta )</span>, the <i>XY</i>-VBS criticality was analyzed by the probe <span>(chi ^{(3)}_F)</span>. Thereby, with properly scaling <span>(delta )</span>, the <span>(chi ^{(3)}_F)</span> data were cast into the crossover-scaling formula to determine the multi-criticality.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1140/epjb/s10051-024-00793-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409619","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}
引用次数: 0
Generating in-store customer journeys from scratch with GPT architectures 利用 GPT 架构从零开始生成店内顾客旅程
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-09-26 DOI: 10.1140/epjb/s10051-024-00778-1
Taizo Horikomi, Takayuki Mizuno
{"title":"Generating in-store customer journeys from scratch with GPT architectures","authors":"Taizo Horikomi,&nbsp;Takayuki Mizuno","doi":"10.1140/epjb/s10051-024-00778-1","DOIUrl":"10.1140/epjb/s10051-024-00778-1","url":null,"abstract":"<p>We propose a method that can generate customer trajectories and purchasing behaviors in retail stores simultaneously using Transformer-based deep learning structure. Utilizing customer trajectory data, layout diagrams, and retail scanner data obtained from a retail store, we trained a GPT-2 architecture from scratch to generate indoor trajectories and purchase actions. Additionally, we explored the effectiveness of fine-tuning the pre-trained model with data from another store. Results demonstrate that our method reproduces in-store trajectories and purchase behaviors more accurately than LSTM and SVM models, with fine-tuning significantly reducing the required training data.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1140/epjb/s10051-024-00778-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142414134","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}
引用次数: 0
Research on rumor propagation and rumor refutation strategies in complex network environment 复杂网络环境下的谣言传播与辟谣策略研究
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-09-23 DOI: 10.1140/epjb/s10051-024-00782-5
Guanghui Yan, Jie Tang, Huayan Pei, Wenwen Chang
{"title":"Research on rumor propagation and rumor refutation strategies in complex network environment","authors":"Guanghui Yan,&nbsp;Jie Tang,&nbsp;Huayan Pei,&nbsp;Wenwen Chang","doi":"10.1140/epjb/s10051-024-00782-5","DOIUrl":"10.1140/epjb/s10051-024-00782-5","url":null,"abstract":"<p>With the popularity of social media, the speed and scale of information dissemination has increased exponentially, among which rumors have become a prominent issue that arouses public concern. Due to the lack of comprehensive consideration of population flow, propagation mechanisms, and effective rumor refutation strategies, as well as related dynamical analysis in traditional models, we propose an extended ISR rumor spreading model based on the traditional SIR (Susceptible, Infected, Recovered) model. The average field equation is established by introducing the flow of population, trust and suspicion mechanism and two rumor-refuting strategies, and the basic reproduction number of homogeneous and heterogeneous networks and the stability of the rumor-free equilibrium point are analyzed. Finally, our experimental simulation shows that the trust mechanism increases the speed and scale of the spread of rumors in the network, while the suspicion mechanism inhibits the spread of rumors and gradually reduces the spread scale. In addition, the dual rumor refutation strategy has a good inhibition effect on the spread of rumors, especially the direct rumor refutation by the disseminator, and has been verified in different models. These findings enhance our understanding of rumor dynamics and suggest strategies for mitigating misinformation in social networks.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142413363","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}
引用次数: 0
Unraveling oscillations at ferro(para)magnetic and non-collinear antiferromagnetic interfaces 铁(对位)磁性和非共轭反铁磁性界面的振荡解析
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-09-22 DOI: 10.1140/epjb/s10051-024-00789-y
Thiago Ferro, Luana Hildever, André José, José Holanda
{"title":"Unraveling oscillations at ferro(para)magnetic and non-collinear antiferromagnetic interfaces","authors":"Thiago Ferro,&nbsp;Luana Hildever,&nbsp;André José,&nbsp;José Holanda","doi":"10.1140/epjb/s10051-024-00789-y","DOIUrl":"10.1140/epjb/s10051-024-00789-y","url":null,"abstract":"<p>Here, we show that the ferro(para)magnetic and non-collinear antiferromagnetic interfaces contribute to oscillating signals observed in the magnetoresistance. We associate the effect with the fact that the spins on the surface of IrMn<span>(_3)</span> produce instability in the surface magnetoresistance of the material, which is sensitive to the magnetic field. We carried out experiments using bilayers of IrMn<span>(_3)</span> under permalloy (Py) and IrMn<span>(_3)</span> under platinum (Pt). The oscillations were intensely evident at the Py/IrMn<span>(_3)</span> interface and less explicit at the Pt/IrMn<span>(_3)</span> interface. We carried out the experiments using pulsed current, with a square pulse width of 1 <span>(mu )</span>s and amplitudes of <span>(I_{AC})</span> = 20 <span>(mu )</span>A to 20 mA. The oscillating signals are proportional to the crystallographic direction of the material, the ferromagnetism of the material adjacent to IrMn<span>(_3)</span>, and sensitive to the amplitude of the pulsed current. We believe that observation is a way of transmitting encoded information through magnetoresistance.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142413219","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}
引用次数: 0
First-principles calculations to investigate Li segregation to Al2CuMg (001)/Al (021) interface in Al–Cu–Li–Mg alloys 通过第一性原理计算研究铝-铜-锂-镁合金中锂离子偏析到铝-铜-镁(001)/铝(021)界面的情况
IF 1.6 4区 物理与天体物理
The European Physical Journal B Pub Date : 2024-09-20 DOI: 10.1140/epjb/s10051-024-00779-0
Jian-Gang Yao, Deng-Feng Yin, Ming-Chun Zhao, Yong Jiang
{"title":"First-principles calculations to investigate Li segregation to Al2CuMg (001)/Al (021) interface in Al–Cu–Li–Mg alloys","authors":"Jian-Gang Yao,&nbsp;Deng-Feng Yin,&nbsp;Ming-Chun Zhao,&nbsp;Yong Jiang","doi":"10.1140/epjb/s10051-024-00779-0","DOIUrl":"10.1140/epjb/s10051-024-00779-0","url":null,"abstract":"<div><p>In Al–Cu–Li–Mg alloys, Li not only imposes the effects on the precipitation of T1, δ′, θ′, S et al., but also segregates to the S (Al<sub>2</sub>CuMg)/Al interface to stabilize the S precipitates. However, such segregation behavior could not be characterized experimentally at the atomic degree due to the low mass of Li. Also, the fine structure of S/Al interface is not yet clear. This work applied first-principles calculations to study these issues. The numerical values of surface energies for three non-stoichiometric surfaces (Al-1, Al-2, and CuMg terminations) of Al<sub>2</sub>CuMg (001) surface were calculated as ~ 1.3 J/m<sup>2</sup> using a special method. The lowest energy of Al<sub>2</sub>CuMg (001)/Al (021) structure was obtained based on the calculation of energies and interface separated work. The segregation of Li at Al<sub>2</sub>CuMg (001)/Al (021) interface was clarified: (i) Li substituted not only one Al atom, but also all the Al atoms of the ‘3’ layer rather than the ‘1’or ‘2’ layer of the Al matrix side at the interface, (ii) Li that substituted Al atoms of the Al matrix side preferred to play on the role of Mg in Al<sub>2</sub>CuMg, trying to expand Al<sub>2</sub>CuMg bulk to maintain the interface stability, (iii) Li segregation is helpful to improve interface strength. This work provides a considerable insight for Li segregation to Al<sub>2</sub>CuMg (001)/Al (021) interface in Al–Cu–Li–Mg alloys.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142412746","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}
引用次数: 0
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