Pratyush Tiwary, Lukas Herron, Richard John, Suemin Lee, Disha Sanwal, Ruiyu Wang
The recent surge in Generative Artificial Intelligence (AI) has introduced exciting possibilities for computational chemistry. Generative AI methods have made significant progress in sampling molecular structures across chemical species, developing force fields, and speeding up simulations. This Perspective offers a structured overview, beginning with the fundamental theoretical concepts in both Generative AI and computational chemistry. It then covers widely used Generative AI methods, including autoencoders, generative adversarial networks, reinforcement learning, flow models and language models, and highlights their selected applications in diverse areas including force field development, and protein/RNA structure prediction. A key focus is on the challenges these methods face before they become truly predictive, particularly in predicting emergent chemical phenomena. We believe that the ultimate goal of a simulation method or theory is to predict phenomena not seen before, and that Generative AI should be subject to these same standards before it is deemed useful for chemistry. We suggest that to overcome these challenges, future AI models need to integrate core chemical principles, especially from statistical mechanics.
{"title":"Generative artificial intelligence for computational chemistry: a roadmap to predicting emergent phenomena","authors":"Pratyush Tiwary, Lukas Herron, Richard John, Suemin Lee, Disha Sanwal, Ruiyu Wang","doi":"arxiv-2409.03118","DOIUrl":"https://doi.org/arxiv-2409.03118","url":null,"abstract":"The recent surge in Generative Artificial Intelligence (AI) has introduced\u0000exciting possibilities for computational chemistry. Generative AI methods have\u0000made significant progress in sampling molecular structures across chemical\u0000species, developing force fields, and speeding up simulations. This Perspective\u0000offers a structured overview, beginning with the fundamental theoretical\u0000concepts in both Generative AI and computational chemistry. It then covers\u0000widely used Generative AI methods, including autoencoders, generative\u0000adversarial networks, reinforcement learning, flow models and language models,\u0000and highlights their selected applications in diverse areas including force\u0000field development, and protein/RNA structure prediction. A key focus is on the\u0000challenges these methods face before they become truly predictive, particularly\u0000in predicting emergent chemical phenomena. We believe that the ultimate goal of\u0000a simulation method or theory is to predict phenomena not seen before, and that\u0000Generative AI should be subject to these same standards before it is deemed\u0000useful for chemistry. We suggest that to overcome these challenges, future AI\u0000models need to integrate core chemical principles, especially from statistical\u0000mechanics.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"16 5 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We propose a simple model of an interacting, fully spin--polarized Fermi gas in dimensions $d=2$ and $d=3$, and derive the approximate expression for the energy spectrum and the corresponding formula for the Helmholtz free energy. We analyze the thermodynamics of the system and find the lines of first--order phase transitions between the low and high density phases terminating at critical points. The properties of the corresponding phase diagrams are qualitatively different for $d=2$ and $3$, and sensitively depend on the interparticle attraction, which marks a departure from the standard van der Waals theory. The differences originate from the Pauli exclusion principle and are embeded in the fermionic nature of the system under study.
{"title":"Fully polarized Fermi systems at finite temperature","authors":"Krzysztof Myśliwy, Marek Napiórkowski","doi":"arxiv-2409.02568","DOIUrl":"https://doi.org/arxiv-2409.02568","url":null,"abstract":"We propose a simple model of an interacting, fully spin--polarized Fermi gas\u0000in dimensions $d=2$ and $d=3$, and derive the approximate expression for the\u0000energy spectrum and the corresponding formula for the Helmholtz free energy. We\u0000analyze the thermodynamics of the system and find the lines of first--order\u0000phase transitions between the low and high density phases terminating at\u0000critical points. The properties of the corresponding phase diagrams are\u0000qualitatively different for $d=2$ and $3$, and sensitively depend on the\u0000interparticle attraction, which marks a departure from the standard van der\u0000Waals theory. The differences originate from the Pauli exclusion principle and\u0000are embeded in the fermionic nature of the system under study.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We firstly study the Navier-Stokes equation for the motion of a passive particle with harmonic, viscous, perturbative forces, subject to an exponentially correlated Gaussian force. Secondly, from the Fokker-Planck equation in an incompressible conducting fluid of magnetic field, we approximately obtain the solution of the joint probability density by using double Fourier transforms in three-time domains. In addition, the kurtosis, the correlation coefficient, and the moment from moment equation are numerically calculated.
{"title":"Joint probability density of a passive article with force and magnetic field","authors":"Jae-Won Jung, Sung Kyu Seo, Kyungsik Kim","doi":"arxiv-2409.02401","DOIUrl":"https://doi.org/arxiv-2409.02401","url":null,"abstract":"We firstly study the Navier-Stokes equation for the motion of a passive\u0000particle with harmonic, viscous, perturbative forces, subject to an\u0000exponentially correlated Gaussian force. Secondly, from the Fokker-Planck\u0000equation in an incompressible conducting fluid of magnetic field, we\u0000approximately obtain the solution of the joint probability density by using\u0000double Fourier transforms in three-time domains. In addition, the kurtosis, the\u0000correlation coefficient, and the moment from moment equation are numerically\u0000calculated.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jae-Won Jung, Sung Kyu Seo, Sungchul Kwon, Kyungsik Kim
We derive the Fokker-Planck equation for an active particle with both radial and tangential force and perturbative force, and its approximate solution of joint probability density is obtained. In t>>u and u=0 regions, an active particle leads to a super-diffusive distribution for radial velocity, while the mean squared tangential velocity with both radial and tangential force and perturbative force behaviors the Gaussian diffusion. As a result, the joint probability density obtained may be similarly consistent with that for the self-propelled particle.
{"title":"Joint probability density with radial, tangential, and perturbative forces","authors":"Jae-Won Jung, Sung Kyu Seo, Sungchul Kwon, Kyungsik Kim","doi":"arxiv-2409.02475","DOIUrl":"https://doi.org/arxiv-2409.02475","url":null,"abstract":"We derive the Fokker-Planck equation for an active particle with both radial\u0000and tangential force and perturbative force, and its approximate solution of\u0000joint probability density is obtained. In t>>u and u=0 regions, an active\u0000particle leads to a super-diffusive distribution for radial velocity, while the\u0000mean squared tangential velocity with both radial and tangential force and\u0000perturbative force behaviors the Gaussian diffusion. As a result, the joint\u0000probability density obtained may be similarly consistent with that for the\u0000self-propelled particle.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dan Shafir, Alessio Squarcini, Stanislav Burov, Thomas Franosch
We consider a tracer particle performing a random walk on a two-dimensional lattice in the presence of immobile hard obstacles. Starting from equilibrium, a constant force pulling on the particle is switched on, driving the system to a new stationary state. Our study calculates displacement moments in discrete time (number of steps $N$) for an arbitrarily strong constant driving force, exact to first order in obstacle density. We find that for fixed driving force $F$, the approach to the terminal discrete velocity scales as $sim N^{-1} exp(- N F^2 / 16)$ for small $F$, differing significantly from the $sim N^{-1}$ prediction of linear response. Besides a non-analytic dependence on the force and breakdown of Einstein's linear response, our results show that fluctuations in the directions of the force are enhanced in the presence of obstacles. Notably, the variance grows as $sim N^3$ (superdiffusion) for $F to infty$ at intermediate steps, reverting to normal diffusion ($sim N$) at larger steps, a behavior previously observed in continuous time but demonstrated here in discrete steps for the first time. Unlike the exponential waiting time case, the superdiffusion regime starts immediately at $N=1$. The framework presented allows considering any type of waiting-time distribution between steps and transition to continuous time using subordination methods. Our findings are also validated through computer simulations.
{"title":"Driven Lorentz model in discrete time","authors":"Dan Shafir, Alessio Squarcini, Stanislav Burov, Thomas Franosch","doi":"arxiv-2409.02696","DOIUrl":"https://doi.org/arxiv-2409.02696","url":null,"abstract":"We consider a tracer particle performing a random walk on a two-dimensional\u0000lattice in the presence of immobile hard obstacles. Starting from equilibrium,\u0000a constant force pulling on the particle is switched on, driving the system to\u0000a new stationary state. Our study calculates displacement moments in discrete\u0000time (number of steps $N$) for an arbitrarily strong constant driving force,\u0000exact to first order in obstacle density. We find that for fixed driving force\u0000$F$, the approach to the terminal discrete velocity scales as $sim N^{-1}\u0000exp(- N F^2 / 16)$ for small $F$, differing significantly from the $sim\u0000N^{-1}$ prediction of linear response. Besides a non-analytic dependence on the\u0000force and breakdown of Einstein's linear response, our results show that\u0000fluctuations in the directions of the force are enhanced in the presence of\u0000obstacles. Notably, the variance grows as $sim N^3$ (superdiffusion) for $F\u0000to infty$ at intermediate steps, reverting to normal diffusion ($sim N$) at\u0000larger steps, a behavior previously observed in continuous time but\u0000demonstrated here in discrete steps for the first time. Unlike the exponential\u0000waiting time case, the superdiffusion regime starts immediately at $N=1$. The\u0000framework presented allows considering any type of waiting-time distribution\u0000between steps and transition to continuous time using subordination methods.\u0000Our findings are also validated through computer simulations.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We derive a Fokker-Planck equation for joint probability density for an active particle coupled two heat reservoirs with harmonic, viscous, random forces. The approximate solution for the joint distribution density of all-to-all and three others topologies is solved, which apply an exponential correlated Gaussian force in three-time regions of correlation time. Mean squared displacement, velocity behaviors in the form of super-diffusion, while the mean squared displacement, velocity has the Gaussian form, normal diffusion. Concomitantly, the Kurtosis, correlation coefficient, and moment from moment equation are approximately and numerically calculated.
{"title":"Joint probability densities of an active particle coupled to two heat reservoirs","authors":"Jae-Won Jung, Sung Kyu Seo, Kyungsik Kim","doi":"arxiv-2409.02411","DOIUrl":"https://doi.org/arxiv-2409.02411","url":null,"abstract":"We derive a Fokker-Planck equation for joint probability density for an\u0000active particle coupled two heat reservoirs with harmonic, viscous, random\u0000forces. The approximate solution for the joint distribution density of\u0000all-to-all and three others topologies is solved, which apply an exponential\u0000correlated Gaussian force in three-time regions of correlation time. Mean\u0000squared displacement, velocity behaviors in the form of super-diffusion, while\u0000the mean squared displacement, velocity has the Gaussian form, normal\u0000diffusion. Concomitantly, the Kurtosis, correlation coefficient, and moment\u0000from moment equation are approximately and numerically calculated.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"181 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We consider $30^{circ}$ twisted bilayer formed by two copies of Haldane model and explore evolution of its properties with varying interlayer coupling strength. Specifically, we compute the system's energy spectrum, its fractal dimensions, topological entanglement entropy, local Chern markers and anomalous Hall conductivity. We find that at weak interlayer coupling, the system remains gapped and retains topological properties of the isolated layers, but at strong interlayer coupling, the system forms a gapless multifractal state. We also establish that anomalous Hall conductivity can be used to characterize the system's topological properties in the same way as a local Chern marker.
{"title":"Multifractaility, topology and anomalous Hall conductivity on a 30 degrees twisted bilayer honeycomb lattice","authors":"Grigory Bednik","doi":"arxiv-2409.02373","DOIUrl":"https://doi.org/arxiv-2409.02373","url":null,"abstract":"We consider $30^{circ}$ twisted bilayer formed by two copies of Haldane\u0000model and explore evolution of its properties with varying interlayer coupling\u0000strength. Specifically, we compute the system's energy spectrum, its fractal\u0000dimensions, topological entanglement entropy, local Chern markers and anomalous\u0000Hall conductivity. We find that at weak interlayer coupling, the system remains\u0000gapped and retains topological properties of the isolated layers, but at strong\u0000interlayer coupling, the system forms a gapless multifractal state. We also\u0000establish that anomalous Hall conductivity can be used to characterize the\u0000system's topological properties in the same way as a local Chern marker.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We consider the effects of weak measurements on the quantum critical ground state of the one-dimensional (a) tricritical and (b) critical quantum Ising model, by measuring in (a) the local energy and in (b) the local spin operator in a lattice formulation. By employing a controlled renormalization group (RG) analysis we find that each problem exhibits highly complex novel scaling behavior, arising from the intrinsically indeterministic ('random') nature of quantum mechanical measurements, which is governed by a measurement-dominated RG fixed point that we study within an $epsilon$ expansion. In the tricritical Ising case (a) we find (i): multifractal scaling behavior of energy and spin correlations in the measured groundstate, corresponding to an infinite hierarchy of independent critical exponents and, equivalently, to a continuum of universal scaling exponents for each of these correlations; (ii): the presence of logarithmic factors multiplying powerlaws in correlation functions, a hallmark of 'logarithmic conformal field theories' (CFT); (iii): universal 'effective central charges' $c^{({rm eff})}_n$ for the prefactors of the logarithm of subsystem size of the $n$th R'enyi entropies, which are independent of each other for different $n$, in contrast to the unmeasured critical ground state, and (iv): a universal ("Affleck-Ludwig") 'effective boundary entropy' $S_{rm{eff}}$ which we show, quite generally, to be related to the system-size independent part of the Shannon entropy of the measurement record, computed explicitly here to 1-loop order. - A subset of these results have so-far also been obtained within the $epsilon$ expansion for the measurement-dominated critical point in the critical Ising case (b).
{"title":"Highly complex novel critical behavior from the intrinsic randomness of quantum mechanical measurements on critical ground states -- a controlled renormalization group analysis","authors":"Rushikesh A. Patil, Andreas W. W. Ludwig","doi":"arxiv-2409.02107","DOIUrl":"https://doi.org/arxiv-2409.02107","url":null,"abstract":"We consider the effects of weak measurements on the quantum critical ground\u0000state of the one-dimensional (a) tricritical and (b) critical quantum Ising\u0000model, by measuring in (a) the local energy and in (b) the local spin operator\u0000in a lattice formulation. By employing a controlled renormalization group (RG)\u0000analysis we find that each problem exhibits highly complex novel scaling\u0000behavior, arising from the intrinsically indeterministic ('random') nature of\u0000quantum mechanical measurements, which is governed by a measurement-dominated\u0000RG fixed point that we study within an $epsilon$ expansion. In the tricritical\u0000Ising case (a) we find (i): multifractal scaling behavior of energy and spin\u0000correlations in the measured groundstate, corresponding to an infinite\u0000hierarchy of independent critical exponents and, equivalently, to a continuum\u0000of universal scaling exponents for each of these correlations; (ii): the\u0000presence of logarithmic factors multiplying powerlaws in correlation functions,\u0000a hallmark of 'logarithmic conformal field theories' (CFT); (iii): universal\u0000'effective central charges' $c^{({rm eff})}_n$ for the prefactors of the\u0000logarithm of subsystem size of the $n$th R'enyi entropies, which are\u0000independent of each other for different $n$, in contrast to the unmeasured\u0000critical ground state, and (iv): a universal (\"Affleck-Ludwig\") 'effective\u0000boundary entropy' $S_{rm{eff}}$ which we show, quite generally, to be related\u0000to the system-size independent part of the Shannon entropy of the measurement\u0000record, computed explicitly here to 1-loop order. - A subset of these results\u0000have so-far also been obtained within the $epsilon$ expansion for the\u0000measurement-dominated critical point in the critical Ising case (b).","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This work examines the full scope of long-standing conjectures identifying the invariant thermodynamic curvature $R$ as the correlation volume $xi^d$ and also as a measure of underlying statistical interactions. To this end, we set up a two-parameter ANNNI (Axial Next Nearest Neighbour Ising) chain featuring two next nearest neighbour (nnn) and a nearest neighbour (nn) interaction. Competition between interactions and resulting frustration engender a rich phase behaviour including a cross-over between two ferrimagnetic sub-phases. We show that $R$ attests to all its conjectured attributes with valuable insights into the character of mesoscopic fluctuating substructures. In a remarkable demonstration of its relevance at a far-from-critical point, $R$ is shown to resolve a hitherto unnoticed tricky issue involving $xi$. A physically transparent expression for the zero field $R$ helps bring into focus the pivotal role played by some third order fluctuation moments.
{"title":"Probing the mesoscopics of competing interactions with the thermodynamic curvature: the case of a two-parameter ANNNI chain","authors":"Soumen Khatua, Anurag Sahay","doi":"arxiv-2409.01643","DOIUrl":"https://doi.org/arxiv-2409.01643","url":null,"abstract":"This work examines the full scope of long-standing conjectures identifying\u0000the invariant thermodynamic curvature $R$ as the correlation volume $xi^d$ and\u0000also as a measure of underlying statistical interactions. To this end, we set\u0000up a two-parameter ANNNI (Axial Next Nearest Neighbour Ising) chain featuring\u0000two next nearest neighbour (nnn) and a nearest neighbour (nn) interaction.\u0000Competition between interactions and resulting frustration engender a rich\u0000phase behaviour including a cross-over between two ferrimagnetic sub-phases. We\u0000show that $R$ attests to all its conjectured attributes with valuable insights\u0000into the character of mesoscopic fluctuating substructures. In a remarkable\u0000demonstration of its relevance at a far-from-critical point, $R$ is shown to\u0000resolve a hitherto unnoticed tricky issue involving $xi$. A physically\u0000transparent expression for the zero field $R$ helps bring into focus the\u0000pivotal role played by some third order fluctuation moments.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"45 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Juan Carlos Verano Espitia, Jérôme Weiss, David Amitrano, Tero Mäkinen, Mikko Alava
We revisit the problem of describing creep in heterogeneous materials by an effective temperature by considering more realistic (and complex) non-mean-field elastic redistribution kernels. We show first, from theoretical considerations, that, if elastic stress redistribution and memory effects are neglected, the average creep failure time follows an Arrhenius expression with an effective temperature explicitly increasing with the quenched heterogeneity. Using a thermally activated progressive damage model of compressive failure, we show that this holds true when taking into account elastic interactions and memory effects, however with an effective temperature $T_{eff}$ depending as well on the nature of the (non-democratic) elastic interaction kernel. We observe that the variability of creep lifetimes, for given external conditions of load and temperature, is roughly proportional to the mean lifetime, therefore depends as well on $T$, on quenched heterogeneity, and the elastic kernel. Finally, we discuss the implications of this effective temperature effect on the interpretation of macroscopic creep tests to estimate an activation volume at the microscale.
{"title":"The effect of quenched heterogeneity on creep lifetimes of disordered materials","authors":"Juan Carlos Verano Espitia, Jérôme Weiss, David Amitrano, Tero Mäkinen, Mikko Alava","doi":"arxiv-2409.01766","DOIUrl":"https://doi.org/arxiv-2409.01766","url":null,"abstract":"We revisit the problem of describing creep in heterogeneous materials by an\u0000effective temperature by considering more realistic (and complex)\u0000non-mean-field elastic redistribution kernels. We show first, from theoretical\u0000considerations, that, if elastic stress redistribution and memory effects are\u0000neglected, the average creep failure time follows an Arrhenius expression with\u0000an effective temperature explicitly increasing with the quenched heterogeneity.\u0000Using a thermally activated progressive damage model of compressive failure, we\u0000show that this holds true when taking into account elastic interactions and\u0000memory effects, however with an effective temperature $T_{eff}$ depending as\u0000well on the nature of the (non-democratic) elastic interaction kernel. We\u0000observe that the variability of creep lifetimes, for given external conditions\u0000of load and temperature, is roughly proportional to the mean lifetime,\u0000therefore depends as well on $T$, on quenched heterogeneity, and the elastic\u0000kernel. Finally, we discuss the implications of this effective temperature\u0000effect on the interpretation of macroscopic creep tests to estimate an\u0000activation volume at the microscale.","PeriodicalId":501520,"journal":{"name":"arXiv - PHYS - Statistical Mechanics","volume":"144 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142196234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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