Optimal design of complex materials

Workshop theme

Materials science is a multidisciplinary research by its nature. Physicists, Chemists as well as materials scientists are all with the desire to understand and design new materials with exceptional properties. From super strong and super tough ceramics, to the ultra elastic and ultra low fatigue alloys, researchers dedicate their full spirits to explore: 1. The structure – property relationships; 2. Means to make materials satisfying these relationships. Traditionally, the discovery of new materials relies on the trial-test-correction based design cycle. The human heuristic can guide the discovery of new materials, but the transitioning of the property from the initial discovery to the optimized one for practical use usually takes about 20 years.

Mathematical modeling provides a rational way for understanding and prediction of materials properties, especially for complex materials. It forms the theoretical foundation for the modern materials development. The mathematical models are not only needed as a descriptor of complex materials, but also as the key to the discovery of the singular and unusual properties of the material. The aim of this workshop is to bring together mathematicians and scientists working in various areas of materials science and applied mathematics in order to initiate the systematic study and communication of the optimal design of new complex materials.

Applications for this workshop are now closed

The Institute kindly requests that any papers published as a result of this programme’s activities are credited as such. Please acknowledge the support of the Institute in your paper using the following text:

The author(s) would like to thank the Isaac Newton Institute for Mathematical Sciences, Cambridge, for support and hospitality during the programme Optimal design of complex materials, where work on this paper was undertaken. This work was supported by EPSRC grant EP/R014604/1.

Timetable

Monday 14th January 2019
09:00 to 09:35	Registration	No Room Required
09:35 to 09:45	Welcome from Christie Marr (INI Deputy Director)	No Room Required
09:45 to 10:30	Peter Palffy-Muhoray Kent State University Attractive and Repulse Interactions in Dense Nematics	Room 1
09:45 to 09:45	Chair: John Ball	No Room Required
10:30 to 11:00	Morning Coffee	No Room Required
11:00 to 11:45	Jonathan Robbins University of Bristol Asymptotics of Landau-de Gennes theory	Room 1
11:45 to 12:30	Halim Kusumaatmaja University of Durham Surveying Energy Landscapes: From Protein Folding to Bistable Liquid Crystal Device and Cylindrical Buckling	Room 1
12:30 to 13:30	Lunch at Churchill College	No Room Required
14:30 to 15:15	Giacomo Canevari BCAM - Basque Center for Applied Mathematics Design of effective bulk potentials for nematic liquid crystals via homogenisation	Room 1
14:30 to 14:30	Chair: Mark Warner	No Room Required
15:15 to 16:00	Jamie Taylor BCAM - Basque Center for Applied Mathematics Construction of two dimensional convex shapes from their excluded volumes	Room 1
16:00 to 16:15	Afternoon Tea	No Room Required
16:15 to 17:00	Daniel Beller University of California, Merced Defect loops in 3D active nematics	Room 1
17:00 to 18:00	Poster session & Wine Reception at the INI	No Room Required

Tuesday 15th January 2019
09:00 to 09:00	Chair: Randell Kamien	No Room Required
09:00 to 09:45	Richard James University of Minnesota Materials from Mathematics	Room 1
09:45 to 10:30	Francesco Della Porta Max-Planck-Institut für Mathematik, Leipzig A moving mask hypothesis to select physically relevant microstructures	Room 1
10:30 to 11:00	Morning Coffee	No Room Required
11:00 to 11:45	Ole Martin Lovvik High-throughput search for new phase transformation materials with low hysteresis	Room 1
11:45 to 12:30	Eckhard Quandt Christian-Albrechts-Universität zu Kiel Supercompatibility and its role on fatigue in shape memory materials	Room 1
12:30 to 13:30	Lunch at Churchill College	No Room Required
14:30 to 15:15	Angkana Ruland Max-Planck-Institut für Mathematik, Leipzig Microstructures in SMA: Rigidity, Non-Rigidity and Simulations	Room 1
14:30 to 14:30	Chair: Antonio DeSimone	No Room Required
15:15 to 16:00	Chantal Valeriani Universidad Complutense de Madrid Designing novel functional materials made of active colloids: the role played by interactions	Room 1
16:00 to 16:15	Afternoon Tea	No Room Required
16:15 to 17:00	Barbara Zwicknagl Technische Universität Berlin Microstructures in martensites: Scaling regimes and optimal domain shapes	Room 1
17:00 to 18:00	Mike Cates University of Cambridge Reverse Engineering of Design Principles using Biased Dynamics	Room 1

Wednesday 16th January 2019
09:00 to 09:45	Margarida Telo da Gama Universidade de Lisboa Designing colloidal structures: fast and slow dynamics	Room 1
09:45 to 10:30	Pingwen Zhang Peking University Defects of Liquid Crystals	Room 1
10:30 to 11:00	Morning Coffee	No Room Required
11:00 to 11:45	Randall Kamien University of Pennsylvania Knitogami	Room 1
11:45 to 12:30	Dirk Aarts University of Oxford Measuring g(r) by test-particle insertion	Room 1
12:30 to 13:30	Lunch at Churchill College	No Room Required
13:30 to 18:00	Free afternoon	No Room Required
19:30 to 22:00	Formal Dinner at Emmanuel College	No Room Required

Thursday 17th January 2019
09:00 to 09:00	Chair: Daniel Beller	No Room Required
09:00 to 09:45	Antonio DeSimone SISSA Morphing and shape control: some lessons from the motility of unicellular organisms	Room 1
09:45 to 10:30	Cyrill Muratov New Jersey Institute of Technology Analysis of Novel Domain Wall Types in Ferromagnetic Nanostructures	Room 1
10:30 to 11:00	Morning Coffee	No Room Required
11:00 to 11:45	Radu Ignat Université Paul Sabatier Toulouse III Symmetry in materials science models under the divergence constraint	Room 1
11:45 to 12:30	Luc Nguyen University of Oxford Symmetry and multiple existence of critical points in 2D Landau-de Gennes Q-tensor theory	Room 1
12:30 to 13:30	Lunch at Churchill College	No Room Required
14:30 to 14:30	Chair: Luc Nguyen	No Room Required
14:30 to 15:15	Rodrigo Ledesma-Aguilar Manipulating droplets on lubricant impregnated surfaces	Room 1
15:15 to 16:00	Nigel Mottram University of Strathclyde Pressure-driven active nematics systems: possible optimisation and design methods	Room 1
16:00 to 16:15	Afternoon Tea	No Room Required
16:15 to 17:00	Claudio Zannoni Università di Bologna Realistic prediction of molecular organizations in thin organic films	Room 1

Friday 18th January 2019
09:00 to 09:00	Peter Palffy-Muhoray	No Room Required
09:00 to 09:45	John Ball Heriot-Watt University Remarks on polycrystalline microstructure	Room 1
09:45 to 10:30	Dmitry Golovaty University of Akron Interfaces with singularities: understanding phase transitions in nematic liquid crystals	Room 1
10:30 to 11:00	Morning Coffee	No Room Required
11:00 to 11:45	Alenka Mertelj Jozef Stefan Institute Polar order in liquids	Room 1
11:45 to 12:30	Mark Warner University of Cambridge Microstructure for continuous and localised intrinsic curvature creation	Room 1
12:30 to 13:30	Lunch at Churchill College	No Room Required

The mathematical design of new materials

Organisers

Xian Chen Hong Kong University of Science and Technology
Miha Ravnik University of Ljubljana
Valeriy Slastikov University of Bristol
Arghir Zarnescu BCAM - Basque Center for Applied Mathematics; Institute of Mathematics of the Romanian Academy

Speakers

Dirk Aarts University of Oxford
John Ball Heriot-Watt University
Daniel Beller University of California, Merced
Giacomo Canevari BCAM - Basque Center for Applied Mathematics
Mike Cates University of Cambridge
Francesco Della Porta Max-Planck-Institut für Mathematik, Leipzig
Antonio DeSimone SISSA
Dmitry Golovaty University of Akron
Radu Ignat Université Paul Sabatier Toulouse III
Richard James University of Minnesota
Randall Kamien University of Pennsylvania
Halim Kusumaatmaja University of Durham
Rodrigo Ledesma-Aguilar
Ole Martin Lovvik
Alenka Mertelj Jozef Stefan Institute
Nigel Mottram University of Strathclyde
Cyrill Muratov New Jersey Institute of Technology
Luc Nguyen University of Oxford
Peter Palffy-Muhoray Kent State University
Eckhard Quandt Christian-Albrechts-Universität zu Kiel
Jonathan Robbins University of Bristol
Angkana Ruland Max-Planck-Institut für Mathematik, Leipzig
Jamie Taylor BCAM - Basque Center for Applied Mathematics
Margarida Telo da Gama Universidade de Lisboa
Chantal Valeriani Universidad Complutense de Madrid
Mark Warner University of Cambridge
Claudio Zannoni Università di Bologna
Pingwen Zhang Peking University
Barbara Zwicknagl Technische Universität Berlin

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Participants

Dirk Aarts University of Oxford
Daniele Agostinelli SISSA
John Ball Heriot-Watt University
Jonathan Bean University of Cambridge
Daniel Beller University of California, Merced
Anne Bernand-Mantel CNRS (Centre national de la recherche scientifique); Université Grenoble Alpes
Friedemann Brock Swansea University
Giacomo Canevari BCAM - Basque Center for Applied Mathematics
Mike Cates University of Cambridge
Xian Chen Hong Kong University of Science and Technology
In-suk Choi Seoul National University
Antonio DeSimone SISSA
James Eliott University of Cambridge
Helena Godinho Universidade Nova de Lisboa (UNL)
Dmitry Golovaty University of Akron
Simon Guest University of Cambridge
Radu Ignat Université Paul Sabatier Toulouse III
Richard James University of Minnesota
Randall Kamien University of Pennsylvania
Halim Kusumaatmaja University of Durham
Emanuel Lazar Bar-Ilan University
Rodrigo Ledesma-Aguilar
Ole Martin Lovvik
Monika Løberg University of Oslo
Alenka Mertelj Jozef Stefan Institute
Nigel Mottram University of Strathclyde
Cyrill Muratov New Jersey Institute of Technology
Luc Nguyen University of Oxford
Mikhail Osipov University of Strathclyde
Peter Palffy-Muhoray Kent State University
Nicholas Pike University of Oslo
Eckhard Quandt Christian-Albrechts-Universität zu Kiel
Tobias Ried Max-Planck-Institut für Mathematik, Leipzig
Jonathan Robbins University of Bristol
Michele Ruggeri University of Vienna
Angkana Ruland Max-Planck-Institut für Mathematik, Leipzig
Muhammad Subkhi Sadullah Durham University
Tom Shearer University of Manchester
Thilo Simon New Jersey Institute of Technology
Valeriy Slastikov University of Bristol
Jamie Taylor BCAM - Basque Center for Applied Mathematics
Margarida Telo da Gama Universidade de Lisboa
Dimitrios Tsagkarogiannis None / Other
Chantal Valeriani Universidad Complutense de Madrid
Joshua Walton University of Strathclyde
Mark Warner University of Cambridge
Stephen J. Watson University of Glasgow
Claudio Zannoni Università di Bologna
Arghir Zarnescu BCAM - Basque Center for Applied Mathematics; Institute of Mathematics of the Romanian Academy
Pingwen Zhang Peking University
Barbara Zwicknagl Technische Universität Berlin