An official website of the United States government
Soft materials are usually defined as materials made of mesoscopic entities, often self-organised, sensitive to thermal fluctuations and to weak perturbations. Archetypal examples are colloids, polymers, amphiphiles, liquid crystals, foams. The importance of soft materials in everyday commodity products, as well as in technological applications, is enormous, and controlling or improving their properties is the focus of many efforts. From a fundamental perspective, the possibility of manipulating soft material properties, by tuning interactions between constituents and by applying external perturbations, gives rise to an almost unlimited variety in physical properties. Together with the relative ease to observe and characterise them, this renders soft matter systems powerful model systems to investigate statistical physics phenomena, many of them relevant as well to hard condensed matter systems. Understanding the emerging properties from mesoscale constituents still poses enormous challenges, which have stimulated a wealth of new experimental approaches, including the synthesis of new systems with, e.g. tailored self-assembling properties, or novel experimental techniques in imaging, scattering or rheology. Theoretical and numerical methods, and coarse-grained models, have become central to predict physical properties of soft materials, while computational approaches that also use machine learning tools are playing a progressively major role in many investigations. This Roadmap intends to give a broad overview of recent and possible future activities in the field of soft materials, with experts covering various developments and challenges in material synthesis and characterisation, instrumental, simulation and theoretical methods as well as general concepts.
more »
« less
Soft Matter Informatics: Current Progress and Challenges
Abstract The number of applications of informatics or data‐driven discovery is growing in many fields, including materials science. The large amount of data that is readily available, combined with high‐level statistical algorithms, is proving to be extremely useful in developing complex predictive models with little to no human supervision or bias. However, in the field of soft matter, which includes complex materials such as polymers, liquids, emulsions, colloids, and gels, there is a slower adoption of informatics strategies than in adjacent fields. Here, the current state of soft matter informatics is discussed. Challenges specific to soft materials, including data classification, various degrees of organization at multiple length scales, and process‐dependent properties require unique approaches by researchers in order to develop robust informatics approaches in soft matter. The current ability to extract and analyze the information from the PoLyInfo database is demonstrated by the fitting of the Flory–Fox equation for glass transition temperature for several polymers. This Progress Report serves to introduce and excite the scientific community about the remarkable potential of informatics for exploring the properties of soft materials.
more »
« less
- PAR ID:
- 10079333
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Advanced Theory and Simulations
- Volume:
- 2
- Issue:
- 1
- ISSN:
- 2513-0390
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Three-dimensional (3D) printing has expanded beyond the mere patterned deposition of melted solids, moving into areas requiring spatially structured soft matter—typically materials composed of polymers, colloids, surfactants, or living cells. The tunable and dynamically variable rheological properties of soft matter enable the high-resolution manufacture of soft structures. These rheological properties are leveraged in 3D printing techniques that employ sacrificial inks and sacrificial support materials, which go through reversible solid–fluid transitions under modest forces or other small perturbations. Thus, a sacrificial material can be used to shape a second material into a complex 3D structure, and then discarded. Here, we review the sacrificial materials and related methods used to print soft structures. We analyze data from the literature to establish manufacturing principles of soft matter printing, and we explore printing performance within the context of instabilities controlled by the rheology of soft matter materials.more » « less
-
The last years have witnessed remarkable advances in our understanding of the emergence and consequences of topological constraints in biological and soft matter. Examples are abundant in relation to (bio)polymeric systems and range from the characterization of knots in single polymers and proteins to that of whole chromosomes and polymer melts. At the same time, considerable advances have been made in the description of the interplay between topological and physical properties in complex fluids, with the development of techniques that now allow researchers to control the formation of and interaction between defects in diverse classes of liquid crystals. Thanks to technological progress and the integration of experiments with increasingly sophisticated numerical simulations, topological biological and soft matter is a vibrant area of research attracting scientists from a broad range of disciplines. However, owing to the high degree of specialization of modern science, many results have remained confined to their own particular fields, with different jargon making it difficult for researchers to share ideas and work together towards a comprehensive view of the diverse phenomena at play. Compelled by these motivations, here we present a comprehensive overview of topological effects in systems ranging from DNA and genome organization to entangled proteins, polymeric materials, liquid crystals, and theoretical physics, with the intention of reducing the barriers between different fields of soft matter and biophysics. Particular care has been taken in providing a coherent formal introduction to the topological properties of polymers and of continuum materials and in highlighting the underlying common aspects concerning the emergence, characterization, and effects of topological objects in different systems. The second half of the review is dedicated to the presentation of the latest results in selected problems, specifically, the effects of topological constraints on the viscoelastic properties of polymeric materials; their relation with genome organization; a discussion on the emergence and possible effects of knots and other entanglements in proteins; the emergence and effects of topological defects and solitons in complex fluids. This review is dedicated to the memory of Marek Cieplak.more » « less
-
null (Ed.)The ever-increasing demand for novel polymers with superior properties requires a deeper understanding and exploration of the chemical space. Recently, data-driven approaches to explore the chemical space for polymer design have emerged. Among them, inverse design strategies for designing polymers with specific properties have evolved to be a significant materials informatics platform by learning hidden knowledge from materials data as well as smartly navigating the chemical space in an optimized way. In this review, we first summarize the progress in the representation of polymers, a prerequisite step for the inverse design of polymers. Then, we systematically introduce three data-driven strategies implemented for the inverse design of polymers, i.e. , high-throughput virtual screening, global optimization, and generative models. Finally, we discuss the challenges and opportunities of the data-driven strategies as well as optimization algorithms employed in the inverse design of polymers.more » « less
-
Abstract Integrated circuits utilize networked logic gates to compute Boolean logic operations that are the foundation of modern computation and electronics. With the emergence of flexible electronic materials and devices, an opportunity exists to formulate digital logic from compliant, conductive materials. Here, we introduce a general method of leveraging cellular, mechanical metamaterials composed of conductive polymers to realize all digital logic gates and gate assemblies. We establish a method for applying conductive polymer networks to metamaterial constituents and correlate mechanical buckling modes with network connectivity. With this foundation, each of the conventional logic gates is realized in an equivalent mechanical metamaterial, leading to soft, conductive matter that thinks about applied mechanical stress. These findings may advance the growing fields of soft robotics and smart mechanical matter, and may be leveraged across length scales and physics.more » « less
