Serving the multidisciplinary materials community, the journal aims to publish new research work that advances the understanding and prediction of material behaviour at scales from atomistic to macroscopic through modelling and simulation.Subject coverage:Modelling and/or simulation across materials science that emphasizes fundamental materials issues advancing the understanding and prediction of material behaviour. Interdisciplinary research that tackles challenging and complex materials problems where the governing phenomena may span different scales of materials behaviour, with an emphasis on the development of quantitative approaches to explain and predict experimental observations. Material processing that advances the fundamental materials science and engineering underpinning the connection between processing and properties. Covering all classes of materials, and mechanical, microstructural, electronic, chemical, biological, and optical properties.
该杂志服务于多学科材料界，旨在通过建模和模拟，发表新的研究工作，从原子尺度到宏观尺度，推进对材料行为的理解和预测。主题覆盖范围：跨材料科学的建模和/或模拟，强调基础材料问题，推进对材料行为的理解和预测。处理具有挑战性和复杂的材料问题的跨学科研究，其中主导现象可能跨越材料行为的不同尺度，重点是开发定量方法来解释和预测实验观察结果。材料加工，推动基础材料科学和工程的发展，为加工和性能之间的联系奠定基础。涵盖所有类别的材料，以及机械、微结构、电子、化学、生物和光学特性。
Atomistic modeling of fracture
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AAE40C
Impact of dataset uncertainties on machine learning model predictions: the example of polymer glass transition temperatures
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AAF8CA
A comparison of different continuum approaches in modeling mixed-type dislocations in Al
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB2D16
Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3B62
Quantifying uncertainty in the process-structure relationship for Al–Cu solidification
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB2690
Phase field modeling to transformation induced plasticity in super-elastic NiTi shape memory alloy single crystal
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB0E53
Basal dislocation/precipitate interactions in Mg–Al alloys: an atomistic investigation
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/ab2de0
Application of Gaussian process autoregressive models for capturing the time evolution of microstructure statistics from phase-field simulations for sintering of polycrystalline ceramics
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651x/ab413e
Modeling of grain growth under fully anisotropic grain boundary energy
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB0C6C
Uncertainty quantification of the parameters and predictions of a phenomenological constitutive model for thermally induced phase transformation in Ni–Ti shape memory alloys
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/ab0040
An efficient numerical framework for the amplitude expansion of the phase-field crystal model
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/ab1508
A multiscale model of protein adsorption on a nanoparticle surface
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3B6E
A multi-scale, multi-physics modeling framework to predict spatial variation of properties in additive-manufactured metals
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AAF753
Micromechanical modelling of mechanochemical processes in heterogeneous materials
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3B3A
Acceleration of phase-field lattice Boltzmann simulation of dendrite growth with thermosolutal convection by the multi-GPUs parallel computation with multiple mesh and time step method
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB20B9
Design of Re-free nickel-base single crystal superalloys using modelling and experimental validations
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB2031
Uncertainty quantification and propagation in CALPHAD modeling
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB08C3
GPU-accelerated dislocation dynamics using subcycling time-integration
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3A03
Role of stress triaxiality on ductile versus brittle fracture in pre-cracked FCC single crystals: an atomistic study
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB1CB1
Understanding the mechanisms of electroplasticity from a crystal plasticity perspective
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/ab43fc
Multiscale study of influence of interfacial decohesion on piezoresistivity of graphene/polymer nanocomposites
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AAFA58
Competitive growth during directional solidification of a binary alloy with natural convection: two-dimensional phase-field study
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB1A17
Modeling and simulation of dynamic recrystallization for Inconel 718 in the presence of δ phase particles using a developed cellular automaton model
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AAFC18
Micrometer-scale molecular dynamics simulation of microstructure formation linked with multi-phase-field simulation in same space scale
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB1D28
Viscoplastic self-consistent polycrystal modeling of texture evolution of ultra-low carbon steel during cold rolling
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB0B92
A general method to construct dislocations in atomistic simulations
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB021A
Hierarchical top-down bottom-up calibration with consideration for uncertainty and inter-scale discrepancy of Peierls stress of bcc Fe
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB23E4
Functional uncertainty quantification for isobaric molecular dynamics simulations and defect formation energies
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/ab16fa
Temperature-mediated fabrication, stress-induced crystallization and transformation: atomistic simulations of additively manufactured amorphous Cu pillars
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3758
Uniaxial Compression of Three-Dimensional Entangled Fibre Networks: Impacts of Contact Interactions
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AAF1ED
Atomistic simulation of the obstacle strengths of radiation-induced defects in an Fe–Ni–Cr austenitic stainless steel
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651x/ab40f9
Diffusion model for austenite formation kinetics during inter-critical annealing of dual-phase steels
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB202B
Atomistic-continuum coupling of random alloys
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB2C5C
Atomistic study of crack-tip plasticity in precipitation hardened monocrystalline aluminum
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB20AE
Molecular dynamics studies on the sintering and mechanical behaviors of graphene nanoplatelet reinforced aluminum matrix composites
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB2095
Ab initio thermodynamics of carbon segregation on dislocation cores in bcc iron
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB28D4
Analysis of interface migration and isothermal martensite formation for quenching and partitioning process in a low-carbon steel by phase field modeling
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3608
Size effect in molecular dynamics simulation of nucleation process during solidification of pure metals: investigating modified embedded atom method interatomic potentials
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651x/ab4b36
Role of misorientation angle in twinning and dislocation slip for nano Mg bicrystals with [2-1-10] symmetric tilt grain boundaries under uniaxial compression and tension
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB0788
Solidification analysis by non-equilibrium phase field model using thermodynamics data estimated by machine learning
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3379
Solidification simulation of direct energy deposition process by multi-phase field method coupled with thermal analysis
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB3433
Stabilization of coupled convection-diffusion-reaction equations for continuum dislocation transport
来源期刊：Modelling and Simulation in Materials Science and EngineeringDOI：10.1088/1361-651X/AB1B84
