Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Ivan Korotkin"'
Autor:
Yuanhao Wu, Babatunde O. Okesola, Jing Xu, Ivan Korotkin, Alice Berardo, Ilaria Corridori, Francesco Luigi Pellerej di Brocchetti, Janos Kanczler, Jingyu Feng, Weiqi Li, Yejiao Shi, Vladimir Farafonov, Yiqiang Wang, Rebecca F. Thompson, Maria-Magdalena Titirici, Dmitry Nerukh, Sergey Karabasov, Richard O. C. Oreffo, Jose Carlos Rodriguez-Cabello, Giovanni Vozzi, Helena S. Azevedo, Nicola M. Pugno, Wen Wang, Alvaro Mata
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-12 (2020)
Self-organising systems have huge potential in device design and fabrication; however, demonstrations of this are limited. Here, the authors report on a combination of disordered proteins and graphene oxide which allows spatio-temporal patterning and
Externí odkaz:
https://doaj.org/article/cde778cd566d46fea19b3a22774617f2
Publikováno v:
Advanced Theory And Simulations
The thermostat-consistent fully coupled molecular dynamics–generalized fluctuating hydrodynamics method is developed for non-equilibrium water flow simulations. The model allows for strong coupling between the atomistic and the continuum hydrodynam
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03c29778a77a176e748e4520ec0a887d
https://eprints.soton.ac.uk/453003/
https://eprints.soton.ac.uk/453003/
For atomistic scale-resolving simulations of peptide diffusion, which are representative of molecular sorting in micro-fluidic device, a hybrid Fluctuating Hydrodynamics - Molecular Dynamics (FH/MD) model is implemented based on the two-phase flow an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5219e5c2b0628f2eb96e8c0a9472cdd
https://eprints.soton.ac.uk/450203/
https://eprints.soton.ac.uk/450203/
Accurate prediction of alkane phase transitions involving solids is needed to prevent catastrophic pipeline blockages, improve lubrication formulations, smart insulation, and energy storage, as well as bring fundamental understanding to processes suc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::774f7d49be7ab97080142358888a2dab
https://eprints.soton.ac.uk/450204/
https://eprints.soton.ac.uk/450204/
Publikováno v:
Journal of Molecular Liquids. 280:285-297
The hybrid Molecular Dynamics - Fluctuating Hydrodynamics model is extended for multi-resolution simulations of molecular diffusion in water under a steady shear flow. Cases of water self-diffusion and a small protein diffusion in water are considere
Autor:
Giles Richardson, Ivan Korotkin
Present theories of irreversible energy losses and heat generation within Li-ion cells are unsatisfactory because they are not compatible with energy conservation and typically give rise to significant errors in the estimation of these quantities. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b3b0ceb72a1c5787d860ffed3824e3f
Publikováno v:
Langmuir : the ACS journal of surfaces and colloids. 36(20)
Water confined by hydrophilic materials shows unique transport properties compared to bulk water, thereby offering new opportunities for the development of nanofluidic devices. Recent experimental and numerical studies showed that nanoconfined water
Publikováno v:
Richardson, G, Korotkin, I, Ranom, R, Castle, M J & Foster, J 2020, ' Generalised single particle models for high-rate operation of graded lithium-ion electrodes: Systematic derivation and validation ', Electrochimica Acta, vol. 339, 135862 . https://doi.org/10.1016/j.electacta.2020.135862
A derivation of the single particle (SP) model is made from a Doyle-Fuller-Newman (DFN) model for electrodes composed of uniformly sized spherical electrode particles of one chemistry. The derivation uses a formal asymptotic method based on the dispa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f1855d2f5af1d3b858e44e1945a9d8f
https://researchportal.port.ac.uk/ws/files/19911743/EPMs_EcAc_resub_v2.pdf
https://researchportal.port.ac.uk/ws/files/19911743/EPMs_EcAc_resub_v2.pdf
Autor:
Jing Xu, Babatunde O. Okesola, Helena S. Azevedo, Francesco Luigi Pellerej di Brocchetti, Alvaro Mata, Sergey A. Karabasov, Rebecca F. Thompson, Janos M. Kanczler, Yuanhao Wu, Wen Wang, Richard O.C. Oreffo, Giovanni Vozzi, Ivan Korotkin, Weiqi Li, José Carlos Rodríguez-Cabello, Jingyu Feng, Yiqiang Wang, Yejiao Shi, Ilaria Corridori, Dmitry Nerukh, Vladimir Farafonov, Alice Berardo, Maria-Magdalena Titirici, Nicola M. Pugno
Publikováno v:
Nature Communications
Nature Communications, Vol 11, Iss 1, Pp 1-12 (2020)
Nature Communications, Vol 11, Iss 1, Pp 1-12 (2020)
Supramolecular chemistry offers an exciting opportunity to assemble materials with molecular precision. However, there remains an unmet need to turn molecular self-assembly into functional materials and devices. Harnessing the inherent properties of
Autor:
Harry E. Hoster, Mangayarkarasi Nagarathinam, Jamie M. Foster, Ivan Korotkin, Giles Richardson, Alana Aragon Zulke
Publikováno v:
Journal of The Electrochemical Society. 168:120522
We demonstrate the predictive power of a parametrised Doyle-Fuller-Newman (DFN) model of a commercial cylindrical (21700) lithium-ion cell with NCA/Gr-SiOx chemistry. Model parameters result from the deconstruction of a fresh commercial cell to deter