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Using exact enumeration methods and Monte Carlo simulations we study the phase diagram relative to the conformational transitions of a two dimensional diblock copolymer. The polymer is made of two homogeneous strands of monomers of…

Statistical Mechanics · Physics 2009-10-31 Marco Baiesi , Enrico Carlon , Enzo Orlandini , Attilio L. Stella

Very few works exist to date on development of a consistent energy-based coupling of atomistic and continuum models of materials in more than one dimension. The difficulty in constructing such a coupling consists in defining a coupled…

Numerical Analysis · Mathematics 2012-09-11 Alexander V. Shapeev

In this work, we study the effective behavior of a two-dimensional variational model within finite crystal plasticity for high-contrast bilayered composites. Precisely, we consider materials arranged into periodically alternating thin…

Analysis of PDEs · Mathematics 2019-02-01 Elisa Davoli , Rita Ferreira , Carolin Kreisbeck

The ability to tune the microstructures formed by block copolymers using accessible physical approaches provides control for practical material applications. A common strategy involves the addition of homopolymers, which can induce…

Soft Condensed Matter · Physics 2025-04-11 Xiangyu Zhang , Jing Zong , Dong Meng

Long range order and symmetry in heterogeneous materials architected on crystal lattices lead to elastic and inelastic anisotropies and thus limit mechanical functionalities in particular crystallographic directions. Here, we present a…

Soft Condensed Matter · Physics 2025-11-17 Jehoon Moon , Gisoo Lee , Jaehee Lee , Hansohl Cho

We study a two-dimensional ternary inhibitory system derived as a sharp-interface limit of the Nakazawa-Ohta density functional theory of triblock copolymers. This free energy functional combines an interface energy favoring micro-domain…

Analysis of PDEs · Mathematics 2019-12-20 Stan Alama , Lia Bronsard , Xinyang Lu , Chong Wang

A justification of heterogeneous membrane models as zero-thickness limits of a cylindral three-dimensional heterogeneous nonlinear hyperelastic body is proposed in the spirit of Le Dret & Raoult. Specific characterizations of the 2D elastic…

Analysis of PDEs · Mathematics 2007-05-23 Jean-Francois Babadjian , Gilles A. Francfort

The microphase separated morphology of a melt of a specific class of comb-coil diblock copolymers, consisting of an AB comb block and a linear homopolymer A block, is analyzed in the weak segregation limit. On increasing the length of the…

Soft Condensed Matter · Physics 2009-11-07 Rikkert J. Nap , Gerrit ten Brinke

We describe the asymptotic behaviour of the minimal inhomogeneous two-capacity of small sets in the plane with respect to a fixed open set $\Omega$. This problem is governed by two small parameters: $\varepsilon$, the size of the inclusion…

Analysis of PDEs · Mathematics 2022-06-14 Andrea Braides , Giuseppe Cosma Brusca

We study the conformational properties of complex polymer macromolecules, consisting in general of $n$ subsequently connected chains (blocks) of different lengths and distinct chemical structure. Depending on the solvent conditions, the…

Soft Condensed Matter · Physics 2019-12-03 V. Blavatska , K. Haydukivska

We consider the phase behavior of two-dimensional ($2D$)system of particles with an isotropic core-softened potential introduced in our previous publications. As one can expect from the qualitative consideration for the three dimensional…

Soft Condensed Matter · Physics 2015-06-18 D. E. Dudalov , Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

We investigate ground state configurations of atomic systems in two dimensions interacting via short range pair potentials. As the number of particles tends to infinity, we show that low-energy configurations converge to a macroscopic…

Analysis of PDEs · Mathematics 2009-09-07 Yuen Au Yeung , Gero Friesecke , Bernd Schmidt

We numerically investigate local defectiveness control of self-assembled diblock copolymer patterns through appropriate substrate design. We use a nonlocal Cahn-Hilliard (CH) equation for the phase separation dynamics of diblock copolymers.…

Soft Condensed Matter · Physics 2017-02-13 D. Jeong , Y. Choi , J. Kim

We prove strong crystallization results in two dimensions for an energy that arises in the theory of block copolymers. The energy is defined on sets of points and their weights, or equivalently on the set of atomic measures. It consists of…

Analysis of PDEs · Mathematics 2013-11-11 D. P. Bourne , M. A. Peletier , F. Theil

A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four,…

Soft Condensed Matter · Physics 2017-12-14 N. P. Kryuchkov , S. O. Yurchenko , Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

In this paper we review some recent results, obtained jointly with Stu Whittington, for a mathematical model describing a copolymer in an emulsion. The copolymer consists of hydrophobic and hydrophilic monomers, concatenated randomly with…

Probability · Mathematics 2007-06-14 F. den Hollander , N. Petrelis

Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…

Numerical Analysis · Mathematics 2026-05-26 Aagashram Neelakandan , Karsten Albe , Bernhard Eidel

We consider a class of models motivated by previous numerical studies of wrinkling in highly stretched, thin rectangular elastomer sheets. The model used is characterized by a finite-strain hyperelastic membrane energy perturbed by small…

Analysis of PDEs · Mathematics 2023-09-06 Timothy J. Healey

We study the ternary Ohta-Kawasaki free energy that has been used to model triblock copolymer systems. Its one-dimensional global minimizers are conjectured to have cyclic patterns. However, some physical experiments and computer…

Optimization and Control · Mathematics 2022-06-30 Zirui Xu , Qiang Du

We study a two-dimensional fluid of particles interacting through a spherically-symmetric and marginally soft two-body repulsion. This model can exist in three different crystal phases, one of them with square symmetry and the other two…

Soft Condensed Matter · Physics 2012-09-13 Santi Prestipino , Franz Saija , Paolo V. Giaquinta