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This paper aimed at obtaining cross-linked polymeric materials of biomass origin. For this purpose one-pot polyesterification of methyl ricinoleate and methyl 12-hydroxystearate using titanium isopropoxide as a catalyst has been performed…

Applied Physics · Physics 2019-11-21 Sylwia Dworakowska , Cédric Le Coz , Guillaume Chollet , Etienne Grau , Henri Cramail

A coarse-grained computational procedure based on the Finite Element Method is proposed to calculate the normal modes and mechanical response of proteins and their supramolecular assemblies. Motivated by the elastic network model, proteins…

Biomolecules · Quantitative Biology 2007-05-23 Mark Bathe

We propose a data-driven constitutive framework for anisotropic damage mechanics based on the second-order damage tensor approach for both compressible and incompressible materials. The formulation is thermodynamically consistent and…

Applied Physics · Physics 2025-08-11 Amirhossein Amiri-Hezaveh , Adrian Buganza Tepole

Role of the Coulomb interaction, mean fissility, mass asymmetry, and charge asymmetry parameters on the synthesis of heavy and superheavy elements has been examined with respect to the deformation parameters of the projectile and target…

A phase-field description of brittle fracture is employed in the reported four-point bending analyses of monolithic and laminated glass plates. Our aims are: (i) to compare different phase-field fracture formulations applied to thin glass…

Computational Engineering, Finance, and Science · Computer Science 2020-12-30 Jaroslav Schmidt , Alena Zemanová , Jan Zeman , Michal Šejnoha

The development of accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions…

Machine Learning · Computer Science 2023-02-22 Jan N. Fuhg , Craig M. Hamel , Kyle Johnson , Reese Jones , Nikolaos Bouklas

Dislocations are the main carriers of plastic deformation in crystalline materials. Physically based constitutive equations of crystal plasticity typically incorporate dislocation mechanisms, using a dislocation density based description of…

Materials Science · Physics 2022-01-19 Ronghai Wu , Michael Zaiser

Achieving damage tolerance in composite materials remains a central challenge in materials science. Conventional strategies often rely on filler incorporation or chemical modification, which can limit energy dissipation and constrain…

Materials Science · Physics 2026-01-15 Israel Kellersztein , Mathieu Desgranges , Chiara Daraio

Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…

Mesoscale and Nanoscale Physics · Physics 2019-10-23 Petri Hirvonen , Vili Heinonen , Haikuan Dong , Zheyong Fan , Ken R. Elder , Tapio Ala-Nissila

We study the necking of a filament of complex fluid or soft solid subject to uniaxial tensile stretching, under conditions of constant imposed stress and force, by means of linear stability analysis and nonlinear simulations. We demonstrate…

Soft Condensed Matter · Physics 2016-11-22 David M. Hoyle , Suzanne M. Fielding

We present a generic model to describe the fractal self-assembly of proteins in terms of electrostatic and hydrophobic interactions. The predictions of the model were correlated with the simulated fractals obtained using patchy…

Soft Condensed Matter · Physics 2020-10-06 Anurag Singh , Suparna Khatun , Amar Nath Gupta

Two interacting atomic ensembles display a Dicke-like quantum phase transition above a critical coupling strength. We show that an ensemble-ensemble entanglement accompanies the quantum phase transition. We derive entanglement criteria,…

Understanding the nature of brittle failure in ferroelectric materials is essential, but difficult due to the complex interaction between mechanical and electrical concentrated fields near the crack tip. In this work, an extended…

Materials Science · Physics 2024-05-22 Chang Liu , Yu Tan , Yong Zhang , Zhaoyi Liu , Takahiro Shimada , Xiangyu Li , Jie Wang

The newly proposed microstructural constitutive model for polycrystal viscoplasticity in cold and warm regimes (Motaman and Prahl, 2019), is implemented as a microstructural solver via user-defined material subroutine in a finite element…

Computational Physics · Physics 2019-09-11 S. Amir H. Motaman , Konstantin Schacht , Christian Haase , Ulrich Prahl

This work presents a comprehensive phase-field framework for modeling anisotropic viscoelastic-viscoplastic fracture in short fiber-reinforced polymer (SFRP) composites under hygrothermal environments at finite deformation. The constitutive…

Computational Engineering, Finance, and Science · Computer Science 2026-03-04 Behrouz Arash , Shadab Zakavati , Timon Rabczuk

For most finite element simulations, boundary-conforming meshes have significant advantages in terms of accuracy or efficiency. This is particularly true for complex domains. However, with increased complexity of the domain, generating a…

Numerical Analysis · Mathematics 2021-04-07 Jan Helmig , Fabian Key , Marek Behr , Stefanie Elgeti

This research rigorously investigates the convergence of adaptive finite element methods for regularized variational models of quasi-static brittle fracture in elastic solids. We specifically examine a novel Ambrosio-Tortorelli (AT1)…

Numerical Analysis · Mathematics 2025-07-02 Ram Manohar , S. M. Mallikarjunaiah

This study presents a novel coupled mechano-electro-chemical formulation for predicting stress corrosion cracking (SCC) phenomena in steel structures using the phase field method. SCC is a complex damage process that arises from the…

Computational Engineering, Finance, and Science · Computer Science 2025-06-09 M. Askari , P. Broumand , M. Javidi

The present contribution proposes a general constitutive model to simulate the orthotropic stiffness, pre-peak nonlinearity, failure envelopes, and the post-peak softening and fracture of textile composites. Following the microplane model…

Materials Science · Physics 2015-09-09 Marco Salviato , Shiva Esna Ashari Esfahani , Gianluca Cusatis

Variational phase-field models of brittle fracture are powerful tools for studying Griffith-type crack propagation in complex scenarios. However, as approximations of Griffith's theory-which does not incorporate a strength criterion-these…

Applied Physics · Physics 2026-01-06 Francesco Vicentini , Jonas Heinzmann , Pietro Carrara , Laura De Lorenzis