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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. -
The Nature Index Journals
The Nature Index journals The current 12-month window on natureindex.com includes data from 57,681 primary research articles from the following science journals: Advanced Materials (1028 articles) American Journal of Human Genetics (173 articles) Analytical Chemistry (1633 articles) Angewandte Chemie International Edition (2709 articles) Applied Physics Letters (3609 articles) Astronomy & Astrophysics (1780 articles) Cancer Cell (109 articles) Cell (380 articles) Cell Host & Microbe (95 articles) Cell Metabolism (137 articles) Cell Stem Cell (100 articles) Chemical Communications (4389 articles) Chemical Science (995 articles) Current Biology (440 articles) Developmental Cell (204 articles) Earth and Planetary Science Letters (608 articles) Ecology (259 articles) Ecology Letters (120 articles) European Physical Journal C (588 articles) Genes & Development (193 articles) Genome Research (184 articles) Geology (270 articles) Immunity (159 articles) Inorganic Chemistry (1345 articles) Journal of Biological Chemistry (2639 articles) Journal of Cell Biology (229 articles) Journal of Clinical Investigation (298 articles) Journal of Geophysical Research: Atmospheres (829 articles) Journal of Geophysical Research: Oceans (493 articles) Journal of Geophysical Research: Solid Earth (520 articles) Journal of High Energy Physics (2142 articles) Journal of Neuroscience (1337 articles) Journal of the American Chemical Society (2384 articles) Molecular Cell (302 articles) Monthly Notices of the Royal Astronomical Society (2946 articles) Nano Letters -
Women in Engineering Fixing the Talent Pipeline
REPORT WOMEN IN ENGINEERING FIXING THE TALENT PIPELINE Amna Silim and Cait Crosse September 2014 © IPPR 2014 Institute for Public Policy Research ABOUT IPPR IPPR, the Institute for Public Policy Research, is the UK’s leading progressive thinktank. We are an independent charitable organisation with more than 40 staff members, paid interns and visiting fellows. Our main office is in London, with IPPR North, IPPR’s dedicated thinktank for the North of England, operating out of offices in Newcastle and Manchester. The purpose of our work is to conduct and publish the results of research into and promote public education in the economic, social and political sciences, and in science and technology, including the effect of moral, social, political and scientific factors on public policy and on the living standards of all sections of the community. IPPR 4th Floor 14 Buckingham Street London WC2N 6DF T: +44 (0)20 7470 6100 E: [email protected] www.ippr.org Registered charity no. 800065 This paper was first published in September 2014. © 2014 The contents and opinions in this paper are the authors’ only. NEW IDEAS for CHANGE CONTENTS Summary ............................................................................................................1 Introduction: Why should we care about the lack of women in engineering? .....2 1. The scale of the challenge in the UK .............................................................3 2. The choices girls make in education ..............................................................5 2.1 Choices at school ............................................................................................ 5 2.2 Choices in higher education ............................................................................. 6 2.3 Choices in employment.................................................................................... 7 3. Why do girls reject the idea of a career in engineering?..............................10 3.1 Perception of STEM subjects and engineering careers .................................. -
Self-Peeling of Impacting Droplets
LETTERS PUBLISHED ONLINE: 11 SEPTEMBER 2017 | DOI: 10.1038/NPHYS4252 Self-peeling of impacting droplets Jolet de Ruiter†, Dan Soto† and Kripa K. Varanasi* Whether an impacting droplet1 sticks or not to a solid formation, 10 µs, is much faster than the typical time for the droplet surface has been conventionally controlled by functionalizing to completely crash22, 2R=v ∼1ms. These observations suggest that the target surface2–8 or by using additives in the drop9,10. the number of ridges is set by a local competition between heat Here we report on an unexpected self-peeling phenomenon extraction—leading to solidification—and fluid motion—opposing that can happen even on smooth untreated surfaces by it through local shear, mixing, and convection (see first stage of taking advantage of the solidification of the impacting drop sketch in Fig. 2c). We propose that at short timescales (<1 ms, and the thermal properties of the substrate. We control top row sketch of Fig. 2c), while the contact line of molten tin this phenomenon by tuning the coupling of the short- spreads outwards, a thin liquid layer in the immediate vicinity of timescale fluid dynamics—leading to interfacial defects upon the surface cools down until it forms a solid crust. At that moment, local freezing—and the longer-timescale thermo-mechanical the contact line pins, while the liquid above keeps spreading on a stresses—leading to global deformation. We establish a regime thin air film squeezed underneath. Upon renewed touchdown of map that predicts whether a molten metal drop impacting the liquid, a small air ridge remains trapped, forming the above- onto a colder substrate11–14 will bounce, stick or self-peel. -
Students Take Control of Imperial's New Carbon Capture Pilot Plant → Centre
Issue 246 ▸ 3 May 2012 reporterSharing stories of Imperial’s community In charge Students take control of Imperial’s new carbon capture pilot plant → centre pages MADAME LIU MATHS MAN BIG SPLASH YANDONG Professor Staff member Chinese State Richard Craster to canoe the Councillor visits on his first six length of the the College months as HoD Thames PAGE 3 PAGE 10 PAGE 13 2 >> newsupdate www.imperial.ac.uk/reporter | reporter | 3 May 2012 • Issue 246 Future of microsurgery unveiled Sir Paul Nurse, President of the Royal Society, officially opened Imperial’s newly refurbished Hamlyn Centre on 16 April. Guests were able to see the EDITOR’S CORNER latest developments in robot assisted microsurgery – minimally invasive sur- gery with micro-scale imaging and manipulation – made possible by funding totalling £5 million from the Wolfson Foundation and the National Institute for Open house Health Research (NIHR) underpinned by the Helen Hamlyn Trust endowment. The Hamlyn Centre, which is split across three Imperial campuses – Hamlyn Centre in advancing robot South Kensington, St Mary’s and Northwick Park – has been refurbished with assisted microsurgery.” From tackling malaria to cutting edge new technologies and a pre-clinical imaging suite for clinical tri- Lord Darzi, Chair of the Institute creating spray-on clothes als to enable clinicians and technicians to validate new surgical robots in the and co-director of the Hamlyn – conveying the amazing patient. The long-term hope is that the robots in the Hamlyn Centre will be Centre, said: “The new facilities breadth of work that goes integrated with imaging and sensing technologies to perform microsurgery, will allow us to build on our unique on at Imperial to family and for example, on cancerous cells. -
The Discovery of the Higgs Boson at the LHC
Chapter 6 The Discovery of the Higgs Boson at the LHC Peter Jenni and Tejinder S. Virdee 6.1 Introduction and the Standard Model The standard model of particle physics (SM) is a theory that is based upon principles of great beauty and simplicity. The theory comprises the building blocks of visible matter, the fundamental fermions: quarks and leptons, and the fundamental bosons that mediate three of the four fundamental interactions; photons for electromag- netism, the W and Z bosons for the weak interaction and gluons for the strong interaction (Fig. 6.1). The SM provides a very successful description of the visible universe and has been verified in many experiments to a very high precision. It has an enormous range of applicability and validity. So far no significant deviations have been observed experimentally. The possibility of installing a proton-proton accelerator in the LEP tunnel, after the e+e− programme, was being discussed in the 1980’s. At the time there were many profound open questions in particle physics, and several are still present. In simple terms these are: what is the origin of mass i.e. how do fundamental particles acquire mass, and why do they have the masses that they have? Why is there more matter than anti-matter? What is dark matter? What is the path towards unification of all forces? Do we live in a world with more space-time dimensions than the familiar four? The LHC [1, 2] was conceived to address or shed light on these questions. P. Jenni CERN, Geneva, Switzerland Albert-Ludwigs University Freiburg, Freiburg im Breisgau, Germany T. -
Three-Component Fermions with Surface Fermi Arcs in Tungsten Carbide
LETTERS https://doi.org/10.1038/s41567-017-0021-8 Three-component fermions with surface Fermi arcs in tungsten carbide J.-Z. Ma 1,2, J.-B. He1,3, Y.-F. Xu1,2, B. Q. Lv1,2, D. Chen1,2, W.-L. Zhu1,2, S. Zhang1, L.-Y. Kong 1,2, X. Gao1,2, L.-Y. Rong2,4, Y.-B. Huang 4, P. Richard1,2,5, C.-Y. Xi6, E. S. Choi7, Y. Shao1,2, Y.-L. Wang 1,2,5, H.-J. Gao1,2,5, X. Dai1,2,5, C. Fang1, H.-M. Weng 1,5, G.-F. Chen 1,2,5*, T. Qian 1,5* and H. Ding 1,2,5* Topological Dirac and Weyl semimetals not only host quasi- bulk valence and conduction bands, which are protected by the two- particles analogous to the elementary fermionic particles in dimensional (2D) topological properties on time-reversal invariant high-energy physics, but also have a non-trivial band topol- planes in the Brillouin zone (BZ)24,26. ogy manifested by gapless surface states, which induce In addition to four- and two-fold degeneracy, it has been shown exotic surface Fermi arcs1,2. Recent advances suggest new that space-group symmetries in crystals may protect other types of types of topological semimetal, in which spatial symmetries degenerate point, near which the quasiparticle excitations are not protect gapless electronic excitations without high-energy the analogues of any elementary fermions described in the standard analogues3–11. Here, using angle-resolved photoemission model. Theory has proposed three-, six- and eight-fold degener- spectroscopy, we observe triply degenerate nodal points near ate points at high-symmetry momenta in the BZ in several specific the Fermi level of tungsten carbide with space group P 62m̄ non-symmorphic space groups3,4,10,11, where the combination of non- (no. -
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. -
Neutrinos from Stored Muons; Nustorm Letter of Interest to Snowmass 2021†
nuSTORM collaboration Final August 31, 2020 Neutrinos from stored muons; nuSTORM Letter of Interest to Snowmass 2021y Cover page Neutrino Frontier Energy Frontier Topical Groups: Topical Groups: (NF1) Neutrino oscillations (AF1) Beam Physics & Accelerator Education (NF2) Sterile neutrinos (AF2) Accelerators for Neutrinos (NF3) Beyond the Standard Model (AF3) Accelerators for EW/Higgs (NF4) Neutrinos from natural sources (AF4) Multi-TeV Colliders (NF5) Neutrino properties (AF5) Accelerators for PBC/Rare Processes (NF6) Neutrino cross sections (AF6) Advanced Accelerator Concepts (NF7) Applications (AF7) Accelerator Technology R&D (NF8) Theory of neutrino physics (NF9) Artificial neutrino sources (NF10) Neutrino detectors Other frontiers: Energy Frontier yContact1: Kenneth Long (k.long[at]imperial.ac.uk) Imperial College London, Exhibition Road, London, SWZ 2AZ, UK; and STFC, Rutherford Appleton Laboratory, Harwell Campus, Didcot, OX11 0QX, UK 1nuSTORM collaboration list presented in the appendix. nuSTORM collaboration Final August 31, 2020 Neutrinos from stored muons; nuSTORM Letter of Interest to Snowmass 2021 Overview The ‘Neutrinos from Stored Muons’ facility, nuSTORM, will provide intense beams composed of equal fluxes of electron- and muon-neutrinos for which the energy spectrum is known precisely from the decay of muons confined within a storage ring [1]. It will be possible to store muon beams with central momentum from 1 GeV/c to 6 GeV/c with a momentum acceptance of 16%. The nuSTORM facility will have the capability to: ,- ,- • Serve a definitive neutrino-nucleus scattering programme with uniquely well-characterised ν e and ν µ beams; • Allow searches for light sterile neutrinos with the exquisite sensitivity necessary to go beyond the reach of the FNAL Short Baseline Neutrino programme; and • Provide the technology test-bed required for the development of muon beams capable of serving as the basis for a multi-TeV lepton-antilepton (muon) collider. -
National Academy of Sciences July 1, 1979 Officers
NATIONAL ACADEMY OF SCIENCES JULY 1, 1979 OFFICERS Term expires President-PHILIP HANDLER June 30, 1981 Vice-President-SAUNDERS MAC LANE June 30, 1981 Home Secretary-BRYCE CRAWFORD,JR. June 30, 1983 Foreign Secretary-THOMAS F. MALONE June 30, 1982 Treasurer-E. R. PIORE June 30, 1980 Executive Officer Comptroller Robert M. White David Williams COUNCIL Abelson, Philip H. (1981) Markert,C. L. (1980) Berg, Paul (1982) Nierenberg,William A. (1982) Berliner, Robert W. (1981) Piore, E. R. (1980) Bing, R. H. (1980) Ranney, H. M. (1980) Crawford,Bryce, Jr. (1983) Simon, Herbert A. (1981) Friedman, Herbert (1982) Solow, R. M. (1980) Handler, Philip (1981) Thomas, Lewis (1982) Mac Lane, Saunders (1981) Townes, Charles H. (1981) Malone, Thomas F. (1982) Downloaded by guest on September 30, 2021 SECTIONS The Academyis divided into the followingSections, to which membersare assigned at their own choice: (11) Mathematics (31) Engineering (12) Astronomy (32) Applied Biology (13) Physics (33) Applied Physical and (14) Chemistry Mathematical Sciences (15) Geology (41) Medical Genetics Hema- (16) Geophysics tology, and Oncology (21) Biochemistry (42) Medical Physiology, En- (22) Cellularand Develop- docrinology,and Me- mental Biology tabolism (23) Physiological and Phar- (43) Medical Microbiology macologicalSciences and Immunology (24) Neurobiology (51) Anthropology (25) Botany (52) Psychology (26) Genetics (53) Social and Political Sci- (27) Population Biology, Evo- ences lution, and Ecology (54) Economic Sciences In the alphabetical list of members,the numbersin parentheses, followingyear of election, indicate the respective Class and Section of the member. CLASSES The members of Sections are grouped in the following Classes: I. Physical and Mathematical Sciences (Sections 11, 12, 13, 14, 15, 16). -
Postgraduate Graduation
Postgraduate Graduation Wednesday 1 M ay 2013 Royal Albert Hall • London The PresidenT & recTor’s welcome Today we welcome some After crossing the stage of the Royal Albert Hall, graduands formally become graduates, joining 2,600 graduands and a 160,000-strong global community of alumni. Wherever you take your talents next, fellow Imperial 5,000 guests from over alumni will be nearby. Almost every country and 100 nations to our annual region of the world has its own Imperial alumni association and they will be delighted to welcome Postgraduate Award you as the newest members of the Imperial family. Ceremonies held in the Today is all about your wonderful achievements. Enjoy your moment. Whatever path you take next, our splendour of the best wishes go with you. Royal Albert Hall. Warm regards, As we celebrate our new graduates’ remarkable achievements at Imperial, we reflect not only on academic distinctions already attained, but also on the opportunities and challenges to come, the goals we are yet to accomplish, the rewards still to be reaped. Sir Keith O’Nions Imperial did not become one of the world’s great universities by letting its students off lightly. Postgraduate study at Imperial requires remarkable intellectual prowess, sustained hard work and exceptional creative thinking. Not everyone has what it takes, but today’s graduates do. Thank you for choosing to bring your extraordinary talents here and enriching our community. I also wish to extend a special thanks to the family and friends here today who have provided invaluable support, guidance and advice over many years of study.