Yong Li , Lili Dai , Wei Feng , Kai Zhang , Fuqian Yang
{"title":"Lithiation-induced stress and damage in electrode materials: Effects of current variations","authors":"Yong Li , Lili Dai , Wei Feng , Kai Zhang , Fuqian Yang","doi":"10.1016/j.mechmat.2025.105332","DOIUrl":"10.1016/j.mechmat.2025.105332","url":null,"abstract":"<div><div>Lithium-ion batteries likely experience different structural evolution during electrochemical charging and discharging under dynamic environments from the corresponding one under “conventional” cycling conditions. In this work, we introduce a time-dependent influx in the analysis of the evolution of stress, strain, mechanical and chemical damages under galvanostatic operation. The time-dependent term is presented in two different forms – one in the form of a set of cosine terms and the other in the form of a Gaussian pulse. For the time-dependent term in the form of a single cosine term, both the angular frequency and amplitude contribute to the evolution of stress, strain, mechanical and chemical damages. The cosine term with a larger amplitude and/or a smaller angular frequency has a larger effect on the structural integrity of the electrode materials in LIBs than the corresponding one with a smaller amplitude and/or a larger angular frequency. For the time-dependent term in the form of a Gaussian pulse, the degradation of LIBs is dependent on the energy coefficient of the Gaussian pulse. Increasing the energy coefficient of the Gaussian pulse leads to the increase of mechanical and chemical damages.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105332"},"PeriodicalIF":3.4,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rubén Muñoz-Sierra , Jacobo Ayensa-Jiménez , Manuel Doblaré
{"title":"On the application of Physically-Guided Neural Networks with Internal Variables to Continuum Problems","authors":"Rubén Muñoz-Sierra , Jacobo Ayensa-Jiménez , Manuel Doblaré","doi":"10.1016/j.mechmat.2025.105317","DOIUrl":"10.1016/j.mechmat.2025.105317","url":null,"abstract":"<div><div>Predictive physics has been historically based upon the development of mathematical models that describe the evolution of a system under certain external stimuli and constraints. The structure of such mathematical models relies on a set of physical hypotheses that are assumed to be fulfilled by the system within a certain range of environmental conditions. A new perspective is now raising that uses physical knowledge to inform the data prediction capability of Machine Learning tools, coined as Scientific Machine Learning.</div><div>A particular approach in this context is the use of Physically-Guided Neural Networks with Internal Variables, where universal physical laws are used as constraints to a given neural network, in such a way that some neuron values can be interpreted as internal state variables of the system. This endows the network with unraveling capacity, as well as better predictive properties such as faster convergence, fewer data needs and additional noise filtering. Besides, only observable data are used to train the network, and the internal state equations may be extracted as a result of the training process, so there is no need to make explicit the particular structure of the internal state model, while getting solutions consistent with Physics.</div><div>We extend here this methodology to continuum physical problems driven by a general set of partial differential equations, showing again its predictive and explanatory capacities when only using measurable values in the training set. Moreover, we show that the mathematical operators developed for image analysis in deep learning approaches can be used in a natural way and extended to consider standard functional operators in continuum Physics, thus establishing a common framework for both.</div><div>The methodology presented demonstrates its ability to discover the internal constitutive state equation for some problems, including heterogeneous, anisotropic and nonlinear features, while maintaining its predictive ability for the whole dataset coverage, with the cost of a single evaluation. As a consequence, microstructural material properties can be inferred from macroscopic measurement coming from sensors without the need of specific homogeneous test plans neither specimen extraction.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105317"},"PeriodicalIF":3.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Valentin Senk , Markus Königsberger , Sebastian Pech , Markus Lukacevic , Michael Schwaighofer , Luis Zelaya-Lainez , Josef Füssl
{"title":"Numerical modeling of plant fiber-reinforced composites: Predicting macroscopic strength and nonlinear behavior through fiber, matrix, and interface failure","authors":"Valentin Senk , Markus Königsberger , Sebastian Pech , Markus Lukacevic , Michael Schwaighofer , Luis Zelaya-Lainez , Josef Füssl","doi":"10.1016/j.mechmat.2025.105318","DOIUrl":"10.1016/j.mechmat.2025.105318","url":null,"abstract":"<div><div>This paper presents a comprehensive study of the numerical modeling of plant fiber-reinforced biocomposites. It focuses on predicting the complex interactions and failure mechanisms between cellulosic fibers and polymer matrix materials. Utilizing an advanced model incorporating a two-fiber unit cell with periodic boundary conditions, the research addresses all major failure mechanisms, including matrix softening, fiber rupture, and interface failure. Through qualitative and quantitative comparison against biocomposite experiments, the model demonstrates its effectiveness despite its simple microstructural representation. It thus emphasizes its utility in understanding and predicting both the macroscopic nonlinear behavior and the ultimate strength of these composites.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105318"},"PeriodicalIF":3.4,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jin-Zhao Li , Zhi-Ping Guan , Jiong-Rui Chen , Hui-Chao Jin
{"title":"A long short-term memory-based constitutive modeling framework for capturing strain path dependence in plastic deformation","authors":"Jin-Zhao Li , Zhi-Ping Guan , Jiong-Rui Chen , Hui-Chao Jin","doi":"10.1016/j.mechmat.2025.105325","DOIUrl":"10.1016/j.mechmat.2025.105325","url":null,"abstract":"<div><div>Macroscopic models struggle to capture the strain path-dependent behavior of metallic materials, particularly under random loading conditions. While crystal plasticity models effectively describe complex strain path dependence due to their physical basis, they suffer from significant computational inefficiencies and limited scalability. To address these challenges, this study introduces an LSTM-based constitutive modeling framework, a novel data-driven approach. The framework starts with fundamental experiments, optimized using a BPNN method to derive constitutive parameters for a crystal plasticity model. An extensive dataset is generated by simulating crystal plasticity along various random strain paths, which is used to train the LSTM network. The resulting model demonstrates exceptional computational efficiency, providing predictions in under 5 s—far faster than the 30-min crystal plasticity simulations. The LSTM-based model accurately predicts responses for strain paths outside the training dataset, exhibiting low RMSE and MAE values. Experimental results from six strain paths confirm the model's accuracy, capturing behaviors such as the Bauschinger effect and orthogonal hardening/softening. This framework offers a promising alternative to traditional constitutive models, extending crystal plasticity to macroscopic processes and enabling precise engineering predictions. The framework is also adaptable to other materials and holds potential for solving time-series related challenges.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105325"},"PeriodicalIF":3.4,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yu-Sheng Lu , Chia-Wei Huang , Tang-Yu Lai , Thi-Xuyen Bui , Chun-Ta Tseng , Te-Hua Fang
{"title":"Deformation mechanism and thermal conductivity of WS2/Ni heterostructure","authors":"Yu-Sheng Lu , Chia-Wei Huang , Tang-Yu Lai , Thi-Xuyen Bui , Chun-Ta Tseng , Te-Hua Fang","doi":"10.1016/j.mechmat.2025.105330","DOIUrl":"10.1016/j.mechmat.2025.105330","url":null,"abstract":"<div><div>This study employs molecular dynamics (MD) simulations to construct WS<sub>2</sub>-coated nickel (Ni) substrates and investigate their tribological and thermal conductivity properties. The effects of varying scratching depths, speeds, and temperatures on the tribological performance were explored, alongside analyses of temperature differences, overall temperature, and model size on thermal conductivity using non-equilibrium MD (NEMD). Results reveal that WS<sub>2</sub>/Ni heterostructures exhibit self-repair mechanisms that mitigate surface damage during scratching, reducing friction coefficients compared to bare Ni substrates. The friction coefficient increased with deeper scratching due to atomic accumulation and extrusion, while higher scratching speeds maintained low friction levels, indicating robust lubrication. Furthermore, higher ambient temperatures reduced the friction coefficient. However, thermal conductivity was unaffected by temperature variation between hot and cold zones. Thermal conductivity increased with model size and decreased at elevated temperatures, exhibiting minimal anisotropy overall. These findings highlight the potential of WS<sub>2</sub>/Ni heterostructures for applications requiring high-performance lubrication and thermal management in sectors such as precision machinery and aerospace.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105330"},"PeriodicalIF":3.4,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"An uncertainty quantification guided approach to modeling high-velocity impact into advanced ceramics","authors":"S. Braroo , X. Sun , K.T. Ramesh","doi":"10.1016/j.mechmat.2025.105316","DOIUrl":"10.1016/j.mechmat.2025.105316","url":null,"abstract":"<div><div>Advanced ceramics are often used as components of protective structures for impact applications. Improving the impact performance of these materials is complicated, because the performance depends on multiple failure mechanisms operating at several time- and length-scales. The mechanisms involved can change with location with respect to the impact point and the time after impact, and include micro-cracking and subsequent degradation of elastic properties, as well as amorphization and/or lattice plasticity. In addition, the material may also be comminuted and experience granular flow in some regions. One approach to simulating the impact performance of advanced ceramics has been through mechanism-based models that incorporate the underlying physics. Such an approach provides guidance with respect to materials design for improved performance, but such models often involve large numbers of input parameters, can be hard to implement in computational solvers, and can be very expensive from a compute-viewpoint. In contrast, phenomenological models offer the advantages of simplicity and computational efficiency but require fitting parameters that are not tied to microstructure, and therefore are less effective from a materials design perspective. Further, the processing of advanced ceramic materials can introduce stochastic heterogeneities (lattice, grain scale and larger defects) which in turn, introduce variations in experimental results and associated uncertainty. In this study we first connect the physical input parameters of a mechanism-based model to the parameters of a phenomenological model, and quantify the uncertainty as it propagates across the parameters sets of the two models. Neural-network based surrogates of specific impact simulations are constructed to accomplish this. The uncertainty in an impact performance metric is then obtained from simulations-surrogates using the phenomenological model with uncertain parameters. As a result, we obtain sensitivity analysis of impact performance over the large parameter space of the mechanism-based model via the phenomenological parameters. Such analyses can prove useful in material selection and also guide processing methodologies for better material design.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105316"},"PeriodicalIF":3.4,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M.F. Gasanov, A.A. Denisov, A.A. Shibkov, A.E. Zolotov, S.S. Kochegarov
{"title":"High speed investigation of spatio-temporal localization of plastic deformation and fracture of notched Al-Mg specimens exhibiting intermittent plasticity","authors":"M.F. Gasanov, A.A. Denisov, A.A. Shibkov, A.E. Zolotov, S.S. Kochegarov","doi":"10.1016/j.mechmat.2025.105331","DOIUrl":"10.1016/j.mechmat.2025.105331","url":null,"abstract":"<div><div>Intermittent plasticity, known as the Portevin-Le Chatelier (PLC) effect and the yield point phenomenon, is a striking example of unstable mechanical behavior of metals and alloys caused by localization of plastic deformation within the PLC and Lüders bands. In present work dynamics and morphology these bands in notched specimens of an AlMg6 (AA5059) commercial alloy under stress-rate controlled tensile tests was investigated. The strain and force responses to the formation and propagation of deformation bands were measured synchronously with high-speed video recording of the specimen surface with a time resolution of 0.2 ms. The results show that the notch is an attractor of deformation bands from the Lüders band to the neck. The notch reduces the effective size of the gauge part of the specimen to a value comparable to the width of the specimen and causes premature sudden failure, reducing the resource of strength and ductility of the alloy. The deformation bands generated by the notch tip cause strain jumps, i.e. steps in the stress-strain curve and stress drops in the complex structure of the force response. It was established that the local rate of plastic deformation in the Lüders band and the PLC band exceeds the average strain rate of the specimen by 3 and 3.5 orders of magnitude, respectively. The spatial statistical distribution of the bands has a sharp maximum in the section along which the main crack will pass. It is a shear crack (type II) that propagates viscously at a velocity of several m/s along the PLC band in the neck structure. Before the rupture the moments of PLC band nucleation self-organize into time sequence that obeys an exponential law. The role of Lüders and subsequent PLC bands in the mechanism of neck formation and failure of a notched specimen is discussed.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105331"},"PeriodicalIF":3.4,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A constitutive model for Cemented-Sand-Gravel (CSG) materials based on strength characteristics","authors":"Yingli Wu , Honglei Ren , Wei Li , Peiran Jing , Wanli Guo","doi":"10.1016/j.mechmat.2025.105313","DOIUrl":"10.1016/j.mechmat.2025.105313","url":null,"abstract":"<div><div>As a novel dam type with numerous advantages, the cemented sand and gravel (CSG) dam is increasingly crucial in water conservancy engineering construction. Extensive triaxial shear tests were conducted on specimens with varying confining pressures and gel contents to investigate the intricate mechanical properties of the CSG. Subsequently, a suitable strength criterion and constitutive model for CSG were established. The results indicated that (1) CSG exhibits certain cementation and structural characteristics, displaying significant strain softening, strong shear dilatancy, and other macroscopic mechanical properties. (2) A shear strength criterion based on binary medium theory was developed to describe strength evolution in different gel contents. (3) The shear strength criterion was judiciously transformed into the constitutive model's shear yield surface while considering the material's tensile properties based on the modified Cam-Clay model to obtain the volumetric yield surface. Additionally, the constitutive model focuses on delineating strain softening and strong shear dilatancy of CSG. (4) The stiffness matrix of the constitutive model was derived under general stress conditions with proven good fitting effects during triaxial shear testing of CSG. These findings provide enhanced theoretical guidance for stress-deformation calculations related to CSG dams.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105313"},"PeriodicalIF":3.4,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143636261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Atomic-scale interfacial strengthening mechanism of nano intermetallic compounds in Ti-Ni bimetallic alloys","authors":"Hao Li , Zhifeng Huang , Daqian Xu , Qiang Shen , Fei Chen","doi":"10.1016/j.mechmat.2025.105329","DOIUrl":"10.1016/j.mechmat.2025.105329","url":null,"abstract":"<div><div>It is well established that cracking induced by Ti-Ni intermetallic compounds (IMCs) severely compromises the application of Ti-Ni bimetallic alloys in extreme environments. However, recent research has demonstrated that reducing the size of these originally detrimental IMCs from the micrometer to the nanometer scale can enhance the plasticity and strength of the metal. To investigate the effects of nanoscale IMCs on the deformation mechanisms of Ti-Ni bimetallic alloys under high strain, we employed molecular dynamics (MD) simulations to study the mechanical deformation mechanisms of two common IMCs at the interface of Ti-Ni bimetallic alloys, namely Ti<sub>2</sub>Ni and TiNi<sub>3</sub>, and their influence on the interfacial bonding strength of the alloy. Both lamellar and particulate configurations were considered.The results of uniaxial tensile tests reveal that Ti<sub>2</sub>Ni undergoes atomic-scale rearrangement after yielding, exhibiting high ductility but low strength. In contrast, TiNi<sub>3</sub> is highly brittle and exhibits limited slip. In the context of Ti-Ni bimetallic alloys, the interface between lamellar Ti<sub>2</sub>Ni and the Ti layer is highly susceptible to stress concentration due to the lack of long-range order in the Ti<sub>2</sub>Ni structure. The semi-coherent interface between lamellar TiNi<sub>3</sub> and the Ti layer is the primary cause of brittleness at the Ti-Ni interface. Additionally, the presence of particulate IMCs acts as dislocation sources, activating slip in the Ni layer, thereby enhancing overall plasticity at the expense of some strength.Our simulation work provides a potential approach for designing high-performance Ti-Ni bimetallic alloys and elucidates the deformation mechanisms of Ti<sub>2</sub>Ni and TiNi<sub>3</sub> within the alloy matrix.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105329"},"PeriodicalIF":3.4,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143621442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Predrag Andric , Sebastián Echeverri Restrepo , Francesco Maresca
{"title":"Mechanism and prediction of screw dislocation strengthening by interstitials in advanced high-strength steels: Application to Fe–C and Fe–N alloys","authors":"Predrag Andric , Sebastián Echeverri Restrepo , Francesco Maresca","doi":"10.1016/j.mechmat.2025.105314","DOIUrl":"10.1016/j.mechmat.2025.105314","url":null,"abstract":"<div><div>Screw dislocations control the yield strength of low-alloyed body-centered-cubic (e.g. steels). Interstitials such as C and N play a key role in the strengthening mechanisms, yet a mechanistic theory that enables the prediction of strength of alloys over a broad range of compositions and interstitial contents is not available. Here, we provide such a theory and apply it to screw dislocations with C and N in iron, from dilute to larger concentrations. The theory, which accounts for interstitial solute segregation by Cottrell atmospheres, is validated with respect to atomistic simulations and used to predict the yield strength of a broad range of alloys, including fully ferritic, martensitic and precipitation-strengthened microstructures. By using a recent model developed by the authors to predict the dislocation density of martensite as a function of the interstitials content, we find a new scaling of the yield strength with the dislocation density, which matches experiments and differs from the commonly used Taylor equation. The demonstrated predictive power of the theory paves the way for theory-guided alloy design, based on reduced and hence more sustainable testing.</div></div>","PeriodicalId":18296,"journal":{"name":"Mechanics of Materials","volume":"205 ","pages":"Article 105314"},"PeriodicalIF":3.4,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}