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Supplemental Material for Molecular Simulations of Heterogeneous Ice
Supplemental Material for Molecular simulations of heterogeneous ice nucleation I: Controlling ice nucleation through surface hydrophilicity Stephen J. Cox,1, 2 Shawn M. Kathmann,3 Ben Slater,1 and Angelos Michaelides1, 2, a) 1)Thomas Young Centre and Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, U.K. 2)London Centre for Nanotechnology, 17{19 Gordon Street, London WC1H 0AH, U.K. 3)Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States (Dated: 22 April 2015) This Supplemental Material contains further details of the simulation methods and the data fitting procedure used. A movie and still images of a nucleation event at the NP with Eads=∆Hvap ≈ 0:9 are also provided. a)Electronic mail: [email protected] 1 I. FURTHER SIMULATIONS DETAILS To construct the NP, the ASE package1 was used: 6 atomic layers were used in the f1,0,0g family of directions; 9 layers in the f1,1,0g family; and 5 layers in the f1,1,1g family, except along the (1¯; 1¯; 1)¯ direction where no layers were used. As the equations of motion for the atoms in the NP were not integrated (i.e. they were fixed) no interaction potential was defined between them, and the adsorption energy Eads of a water monomer to the NP was therefore simply defined as the total energy after geometry optimization of a single water molecule at the center of the (111) face. The velocity Verlet algorithm was used to propagate the equations of motion of the water molecules, using a 10 fs time step. -
Public Spa Second Home Breakfast
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Furui Yoshikichi on Physical and Mental Illness, Death, Social
LIMINALITY IN THE LATE TWENTIETH CENTURY Furui Y oshikichi on physical and mental illness, death, social ostracism, and workplace and ageing stress. (-:S«»-.;_~v ~) By Jennifer Scott BA(Hons) Submitted in fulfilment of the requirements for the degree of Doctor of Philosophy University of Tasmania February 2002 This thesis contains no material which has been accepted for a degree or diploma by the University or any other institution, except by way of background information and duly acknowledged in the thesis, and to the best of the Candidate's knowledge anq belief no material previously published or written by another person except where due acknowledgment is made in the text of the thesis. This thesis may be made available for loan and limited copying in accordance with the Copyright Act 1968. Jennifer Mary Scott Date \\' 0:)..02 ABSTRACT The liminal is a condition of human existence which has been the concern of Japanese literature throughout its history, since it is an essential ingredient in the experience of crisis. This thesis examines Furui's contribution to this literature of the liminal (my term) - his careful and detailed psycho-socio-analytical studies of the late twentieth century mind in the liminal state. The introductory chapter begins with a brief overview of Furui 's writing and its place in contemporary Japanese literature, especially the literature of the liminal. I go on to outline the general theoretical approaches of the thesis. I base my argument on Turner's socio-anthropological interpretation of the tripartite structure of rites of passage, and focus on his view of the liminal as a threshold period or state in which normal social structures and hierarchies are replaced by the relatively unstructured egalitarianism of community (communitas). -
Meguro Walking Map
Meguro Walking Map Meguro Walking Map Primary print number No. 31-30 Published February 2, 2020 December 6, 2019 Published by Meguro City Edited by Health Promotion Section, Health Promotion Department; Sports Promotion Section, Culture and Sports Department, Meguro City 2-19-15 Kamimeguro, Meguro City, Tokyo Phone 03-3715-1111 Cooperation provided by Meguro Walking Association Produced by Chuo Geomatics Co., Ltd. Meguro City Total Area Course Map Contents Walking Course 7 Meguro Walking Courses Meguro Walking Course Higashi-Kitazawa Sta. Total Area Course Map C2 Walking 7 Meguro Walking Courses P2 Course 1: Meguro-dori Ave. Ikenoue Sta. Ke Walk dazzling Meguro-dori Ave. P3 io Inok Map ashira Line Komaba-todaimae Sta. Course 2: Komaba/Aobadai area Shinsen Sta. Walk the ties between Meguro and Fuji P7 0 100 500 1,000m Awas hima-dori St. 3 Course 3: Kakinokizaka/Higashigaoka area Kyuyamate-dori Ave. Walk the 1964 Tokyo Olympics P11 2 Komaba/Aobadai area Walk the ties between Meguro and Fuji Shibuya City Tamagawa-dori Ave. Course 4: Himon-ya/Meguro-honcho area Ikejiri-ohashi Sta. Meguro/Shimomeguro area Walk among the history and greenery of Himon-ya P15 5 Walk among Edo period townscape Daikan-yama Sta. Course 5: Meguro/Shimomeguro area Tokyu Den-en-toshi Line Walk among Edo period townscape P19 Ebisu Sta. kyo Me e To tro Hibiya Lin Course 6: Yakumo/Midorigaoka area Naka-meguro Sta. J R Walk a green road born from a culvert P23 Y Yutenji/Chuo-cho area a m 7 Yamate-dori Ave. a Walk Yutenji and the vestiges of the old horse track n o Course 7: Yutenji/Chuo-cho area t e L Meguro City Office i Walk Yutenji and the vestiges of the old horse track n P27 e / S 2 a i k Minato e y Kakinokizaka/Higashigaoka area o in City Small efforts, L Yutenji Sta. -
What Makes a Good Descriptor for Heterogeneous Ice Nucleation on OH-Patterned Surfaces
What Makes a Good Descriptor for Heterogeneous Ice Nucleation on OH-Patterned Surfaces Philipp Pedevilla Thomas Young Centre and London Centre for Nanotechnology, 17-19 Gordon Street, London, WC1H 0AH, United Kingdom and Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, United Kingdom Martin Fitzner and Angelos Michaelides∗ Thomas Young Centre and London Centre for Nanotechnology, 17-19 Gordon Street, London, WC1H 0AH, United Kingdom and Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, United Kingdom (Dated: October 5, 2018) Freezing of water is arguably one of the most common phase transitions on Earth and almost always happens heterogeneously. Despite its importance, we lack a fundamental understanding of what makes substrates efficient ice nucleators. Here we address this by computing the ice nucleation (IN) ability of numerous model hydroxylated substrates with diverse surface hydroxyl (OH) group arrangements. Overall, for the substrates considered, we find that neither the symmetry of the OH patterns nor the similarity between a substrate and ice correlate well with the IN ability. Instead, we find that the OH density and the substrate-water interaction strength are useful descriptors of a material's IN ability. This insight allows the rationalization of ice nucleation ability across a wide range of materials, and can aid the search and design of novel potent ice nucleators in the future. I. INTRODUCTION ing and ice formation on well-defined atomically flat sur- faces [10, 11], but these experiments are currently not ap- Nucleation is a process that plays a pivotal role in nu- plicable under atmospherically relevant conditions. -
Public Request to Take Stronger Measures of Social Distancing Across the UK with Immediate Effect 14Th March 2020
Public request to take stronger measures of social distancing across the UK with immediate effect 14th March 2020 (last update: 15th March 2020, 18:25) As scientists living and working in the UK, we would like to express our concern about the course of action announced by the Government on 12th March 2020 regarding the Coronavirus outbreak. In particular, we are deeply preoccupied by the timeline of the proposed plan, which aims at delaying social distancing measures even further. The current data about the number of infections in the UK is in line with the growth curves already observed in other countries, including Italy, Spain, France, and Germany [1]. The same data suggests that the number of infected will be in the order of dozens of thousands within a few days. Under unconstrained growth, this outbreak will affect millions of people in the next few weeks. This will most probably put the NHS at serious risk of not being able to cope with the flow of patients needing intensive care, as the number of ICU beds in the UK is not larger than that available in other neighbouring countries with a similar population [2]. Going for \herd immunity" at this point does not seem a viable option, as this will put NHS at an even stronger level of stress, risking many more lives than necessary. By putting in place social distancing measures now, the growth can be slowed down dramatically, and thousands of lives can be spared. We consider the social distancing measures taken as of today as insufficient, and we believe that addi- tional and more restrictive measures should be taken immediately, as it is already happening in other countries across the world. -