The 15th International Conference of Computational Methods (ICCM2024) this year will be held ONLINE! We are welcoming your submissions to MS-036 Mechanics of soft materials. Deadline for submissions is 30th March. Details available HERE!
https://doi.org/10.1039/D0TB00896FIt is my privilege and honor to be highlighted as the Journal of Material Chemistry B's Emerging Investigators for 2020. Together with our group's young budding scientists, Chenxi Zhai, Tianjiao Li, and Haoyuan Shi, we review the discovery and design of next-generation bio-inspired materials by harnessing the virtual space in materials design: materials omics (materiomics), materials informatics, computational modelling and simulations, artificial intelligence (AI), and big data.
https://doi.org/10.1016/j.biomaterials.2020.119857 Our unified experimental and computational approach provided underlying insights needed to guide potential therapies for Alport syndrome (AS) that ameliorate the adverse effects from AS disease onset and progression. Patients with AS exhibit blood and elevated protein levels in their urine, inflamed kidneys, and many other abnormalities.
https://doi.org/10.1016/j.memsci.2019.117785 The widespread use of low dimensional carbon membrane for desalination and gas separation is limited by the difficulty to physically realise such membrane designs on a meaningful scale. This review aims to bring together results achieved in this field, hoping to inspire new designs or developments that could bridge this technical challenge. The focus of this paper is on sub-nanometer separation operations such as desalination or gas separation.
http://jingjieyeo.github.io/positions.html I am happy to announce that the website of the J2 Lab for Engineering Living Materials is now live! We're very excited to get cracking in Jan 2020 at the Sibley School of Mechanical and Aerospace Engineering in Cornell University, and we're hiring one postdoc experienced in multiscale computational simulations to kickstart our lab. Please visit our website for more details!
https://doi.org/10.1016/j.coche.2019.02.011 We review the most recent developments in multiscale computational modeling of collagen-based biomaterials to determine their structural, mechanical, and physicochemical properties.
https://cfmsummit2019.sg/ All speakers and delegates are by invitation only. Mechanicians who would like to follow the proceedings online, I will be live-tweeting updates as the event progresses, so follow me on Twitter at https://twitter.com/JingjieYeo Scheduled to be held from 8 to 10 April 2019, the Century Fracture Mechanics Summit will feature an international line-up of influential and visionary speakers from around the world.
https://doi.org/10.1016/j.memsci.2019.03.062 This work presents the multilayer transverse flow carbon nanotube (CNT) membrane (TFCM), which resembles vertically aligned CNT arrays, as an alternative candidate for efficient desalination. Using molecular dynamics, this work shows that multilayer TFCM can provide permeability and salt rejection on par with its single layer counterpart.
https://doi.org/10.1002/adma.201805665 Computational modeling and simulations play an integral role in the bottom‐up design and characterization of graph‐n‐yne materials. Here, the state of the art in modeling α‐, β‐, γ‐, δ‐, and 6,6,12‐graphyne nanosheets for synthesizing graph‐2‐yne materials and 3D architectures thereof is discussed.
https://doi.org/10.1038/s41467-019-08813-x We report a transfer approach using paraffin as a support layer, whose thermal properties, low chemical reactivity and non-covalent affinity to graphene enable transfer of wrinkle-reduced and clean large-area graphene.
https://doi.org/10.1002/mabi.201800253In celebration of Stern Family Professor of Engineering David L. Kaplan, on the occasion of his 65th birthday, we review a selection of relevant contributions of computational modeling to understand the properties of natural silk, and to the design of silk-based materials, especially combined with experimental methods.
https://doi.org/10.1007/978-3-319-50257-1_83-1The second volume of the Handbook of Materials Modeling is now online: We reviewed the development of new empirical molecular dynamics forcefields, novel methods of generating aerogels’ percolated backbones, and compelling algorithms for characterizing their structural, mechanical, and thermal
https://doi.org/10.1039/C8CP01191E We investigate the effect of varying carbon nanotube (CNT) size on the desalination performance through slit confinements formed by horizontally aligned CNTs stacked on top of one another. By increasing the CNT size, the results obtained from this study indicate a corresponding increase in the water flow rate, accompanied by a slight reduction in salt rejection performance.
Fresh in 2018 Journal of Materials Chemistry B HOT Papers! We present integrative experimental and computational understanding of the thermal response in adaptive hydrogels tailor-made from silk-elastin-like proteins that are tunable and responsive to multiple simultaneous external stimuli.
https://doi.org/10.1088/1402-4896/aab4e2In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is "plenty of room at the bottom" for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization.
https://doi.org/10.1016/j.desal.2018.03.029 In parallel with recent developments in carbon nanomaterials, there is growing interest in using these nanomaterials for desalination. To date, many studies have affirmed the potential of using such nanomaterials for constant pressure desalination operation. In this work, the performance of such membrane when subjected to oscillatory pressure at sub-nanosecond is investigated in detail.
https://doi.org/10.1016/j.eml.2018.01.009 Scleroproteins are an important category of proteins within the human body that adopt filamentous, elongated conformations in contrast with typical globular proteins. These include keratin, collagen, and elastin, which often serve a common mechanical function in structural support of cells and tissues. Genetic mutations alter these proteins, disrupting their functions and causing diseases.
https://doi.org/10.1016/j.msec.2018.01.007 The present review will introduce the basic concepts of silk-based electronics/optoelectronics including the latest technological advances on the use of silk fibroin in combination with other functional components, with an emphasis on improving the performance of next-generation silk-based materials. It also highlights the patterning of silk fibroin to produce micro/nano-scale features, as well as the functionalization of silk fibroin to impart antimicrobial (i.e. antibacterial) properties.
http://onlinelibrary.wiley.com/doi/10.1002/adfm.201704757/full Hydrogels are the focus of extensive research due to their potential use in fields including biomedical, pharmaceutical, biosensors, and cosmetics. However, the general weak mechanical properties of hydrogels limit their utility. Here, pristine silk fibroin (SF) hydrogels with excellent mechanical properties are generated via a binary-solvent-induced conformation transition (BSICT) strategy.
As the Editorial Board member of IJCMSE, I enthusiastically welcome the high quality submissions from the community of iMechanica. The objective of the journal is the publication and wide electronic dissemination of innovative and consequential research in all aspects computational materials science and engineering, featuring the most advanced mathematical modeling and numerical methodology developments.
http://dx.doi.org/10.1039/C7NR04455K Graphene has excellent mechanical, thermal and electrical properties. However, there are limitations in utilizing monolayers of graphene for mechanical engineering applications due to its atomic thickness and lack of bending rigidity. Synthesizing graphene aerogels or foams is one approach to utilize graphene in three-dimensional bulk forms. Recently, graphene with a gyroidal geometry has been proposed.
http://dx.doi.org/10.1016/j.carbon.2016.09.043 This study considers two novel ideas to further explore and enhance the graphene membrane for desalination. Firstly, while earlier molecular dynamics (MD) simulations studies have used frozen membranes, free-standing membrane is considered here. Since 2D membranes are usually embedded on porous support in the experimental reverse osmosis (RO) process, the free-standing membrane can more accurately model the behavior expected during operation.
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