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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. -
Female Fellows of the Royal Society
Female Fellows of the Royal Society Professor Jan Anderson FRS [1996] Professor Ruth Lynden-Bell FRS [2006] Professor Judith Armitage FRS [2013] Dr Mary Lyon FRS [1973] Professor Frances Ashcroft FMedSci FRS [1999] Professor Georgina Mace CBE FRS [2002] Professor Gillian Bates FMedSci FRS [2007] Professor Trudy Mackay FRS [2006] Professor Jean Beggs CBE FRS [1998] Professor Enid MacRobbie FRS [1991] Dame Jocelyn Bell Burnell DBE FRS [2003] Dr Philippa Marrack FMedSci FRS [1997] Dame Valerie Beral DBE FMedSci FRS [2006] Professor Dusa McDuff FRS [1994] Dr Mariann Bienz FMedSci FRS [2003] Professor Angela McLean FRS [2009] Professor Elizabeth Blackburn AC FRS [1992] Professor Anne Mills FMedSci FRS [2013] Professor Andrea Brand FMedSci FRS [2010] Professor Brenda Milner CC FRS [1979] Professor Eleanor Burbidge FRS [1964] Dr Anne O'Garra FMedSci FRS [2008] Professor Eleanor Campbell FRS [2010] Dame Bridget Ogilvie AC DBE FMedSci FRS [2003] Professor Doreen Cantrell FMedSci FRS [2011] Baroness Onora O'Neill * CBE FBA FMedSci FRS [2007] Professor Lorna Casselton CBE FRS [1999] Dame Linda Partridge DBE FMedSci FRS [1996] Professor Deborah Charlesworth FRS [2005] Dr Barbara Pearse FRS [1988] Professor Jennifer Clack FRS [2009] Professor Fiona Powrie FRS [2011] Professor Nicola Clayton FRS [2010] Professor Susan Rees FRS [2002] Professor Suzanne Cory AC FRS [1992] Professor Daniela Rhodes FRS [2007] Dame Kay Davies DBE FMedSci FRS [2003] Professor Elizabeth Robertson FRS [2003] Professor Caroline Dean OBE FRS [2004] Dame Carol Robinson DBE FMedSci -
A La Torre Aaker Aalbers Aaldert Aarmour Aaron
A LA TORRE ABDIE ABLEMAN ABRAMOWITCH AAKER ABE ABLES ABRAMOWITZ AALBERS ABEE ABLETSON ABRAMOWSKY AALDERT ABEEL ABLETT ABRAMS AARMOUR ABEELS ABLEY ABRAMSEN AARON ABEKE ABLI ABRAMSKI AARONS ABEKEN ABLITT ABRAMSON AARONSON ABEKING ABLOTT ABRAMZON AASEN ABEL ABNER ABRASHKIN ABAD ABELA ABNETT ABRELL ABADAM ABELE ABNEY ABREU ABADIE ABELER ABORDEAN ABREY ABALOS ABELES ABORDENE ABRIANI ABARCA ABELI ABOT ABRIL ABATE ABELIN ABOTS ABRLI ABB ABELL ABOTSON ABRUZZO ABBA ABELLA ABOTT ABSALOM ABBARCROMBIE ABELLE ABOTTS ABSALON ABBAS ABELLS ABOTTSON ABSHALON ABBAT ABELMAN ABRAHAM ABSHER ABBATE ABELS ABRAHAMER ABSHIRE ABBATIELLO ABELSON ABRAHAMI ABSOLEM ABBATT ABEMA ABRAHAMIAN ABSOLOM ABBAY ABEN ABRAHAMOF ABSOLON ABBAYE ABENDROTH ABRAHAMOFF ABSON ABBAYS ABER ABRAHAMOV ABSTON ABBDIE ABERCROMBIE ABRAHAMOVITZ ABT ABBE ABERCROMBY ABRAHAMOWICZ ABTS ABBEKE ABERCRUMBIE ABRAHAMS ABURN ABBEL ABERCRUMBY ABRAHAMS ABY ABBELD ABERCRUMMY ABRAHAMSEN ABYRCRUMBIE ABBELL ABERDEAN ABRAHAMSOHN ABYRCRUMBY ABBELLS ABERDEEN ABRAHAMSON AC ABBELS ABERDEIN ABRAHAMSSON ACASTER ABBEMA ABERDENE ABRAHAMY ACCA ABBEN ABERG ABRAHM ACCARDI ABBERCROMBIE ABERLE ABRAHMOV ACCARDO ABBERCROMMIE ABERLI ABRAHMOVICI ACE ABBERCRUMBIE ABERLIN ABRAHMS ACERO ABBERDENE ABERNATHY ABRAHMSON ACESTER ABBERDINE ABERNETHY ABRAM ACETO ABBERLEY ABERT ABRAMCHIK ACEVEDO ABBETT ABEYTA ABRAMCIK ACEVES ABBEY ABHERCROMBIE ABRAMI ACHARD ABBIE ABHIRCROMBIE ABRAMIN ACHENBACH ABBING ABIRCOMBIE ABRAMINO ACHENSON ABBIRCROMBIE ABIRCROMBIE ABRAMO ACHERSON ABBIRCROMBY ABIRCROMBY ABRAMOF ACHESON ABBIRCRUMMY ABIRCROMMBIE ABRAMOFF -
Biology, Bioinformatics, Bioengineering, Biophysics, Biostatistics, Neuroscience, Medicine, Ophthalmology, and Dentistry
Biology, Bioinformatics, Bioengineering, Biophysics, Biostatistics, Neuroscience, Medicine, Ophthalmology, and Dentistry This section contains links to textbooks, books, and articles in digital libraries of several publishers (Springer, Elsevier, Wiley, etc.). Most links will work without login on any campus (or remotely using the institution’s VPN) where the institution (company) subscribes to those digital libraries. For De Gruyter and the associated university presses (Chicago, Columbia, Harvard, Princeton, Yale, etc.) you may have to go through your institution’s library portal first. A red title indicates an excellent item, and a blue title indicates a very good (often introductory) item. A purple year of publication is a warning sign. Titles of Open Access (free access) items are colored green. The library is being converted to conform to the university virtual library model that I developed. This section of the library was updated on 06 September 2021. Professor Joseph Vaisman Computer Science and Engineering Department NYU Tandon School of Engineering This section (and the library as a whole) is a free resource published under Attribution-NonCommercial-NoDerivatives 4.0 International license: You can share – copy and redistribute the material in any medium or format under the following terms: Attribution, NonCommercial, and NoDerivatives. https://creativecommons.org/licenses/by-nc-nd/4.0/ Copyright 2021 Joseph Vaisman Table of Contents Food for Thought Biographies Biology Books Articles Web John Tyler Bonner Morphogenesis Evolution -
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). -
April at PENN Calendar, Vol. 53, No. 27, March 27, 2007
Charles Addams Fine Arts Gallery, Now South Asia Center Film Series ACADEMIC CALENDAR Charles Addams Fine Arts Hall: free; MFA Thesis Preview Exhibition; 5 p.m.; rm. 25, Williams Hall. Mon.-Fri., 10 a.m.-5 p.m. Meyerson Gallery. Through April 4. 2 María Candelaria. 20 Spring Term Classes End. Esther M. Klein Art Gallery : free; Love, Loss & Longing: The Impact 9 Waga seishun ni kuinashi. 23 Reading Days. Through April 25. Mon.-Sat., 9 a.m.-5 p.m. of U.S. Travel Policies on Cuban-Ameri- 26 Final Exams. Through May 4. Graduate School of Education can Families; photography exhibit; Inter- 16 Zinda Laash. April (GSE) Student Lounge: free; Mon.-Fri., national House. Through April 9. CHILDREN’S ACTIVITIES 9 a.m.-5 p.m. The Art of Reinvention: Travel, MEETINGS ICA: $6, $3/artists, seniors, students Exile, and Recuperation; political exile 14 Handicraft Tradition of India; ex- over 12; free/members, children 12 & under, of artists Franz Werfel and Kinga Araya; 12 PPSA; noon-1:30 p.m.; location tbd; A T P E N N plore India’s cultural traditions and create w/PennCard; Sun., 11 a.m.-1 p.m.; Wed.- Rosenwald Gallery, Van Pelt-Dietrich RSVP: [email protected]. a decorative handicraft; ages 7+; 10 a.m.; Fri., noon-8 p.m.; Sat.-Sun., 11 a.m.-5 p.m. Library. Through April 13. 19 WPSA; noon; rm. 218, Houston Penn Museum; $10, $5/members; register International House; free; for hours Undergraduate Senior Thesis Hall. Wherever these symbols appear, more by April 7: (215) 898-4016 (Museum). -
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. -
Royal Society Diversity Day 2014 Tuesday 17 June 2014, Wellcome Trust Lecture Hall
Royal Society Diversity Day 2014 Tuesday 17 June 2014, Wellcome Trust Lecture Hall Programme 10.00 Arrival, registration and refreshments. 10.30 Welcome address Professor John Pethica, Physical Secretary and Vice-President of the Royal Society, Lead Officer for diversity. 10.35 Diversity at the Royal Society Professor Dame Julia Higgins FRS FREng Chair of the Royal Society’s Diversity Programme Steering Group 10.45 Session 1: Increasing diversity in STEMM apprenticeships Chaired by Professor Saiful Islam, Member of the Royal Society’s Equality and Diversity Advisory Network • Key note speaker: Peter Little OBE. Author of Government Report: “Creating an Inclusive Apprenticeship Offer”. • Followed by panel session on inclusive apprenticeships for all in science, technology and engineering fields. Panellists are: - Dr Linda Miller, Senior Research Fellow, Institute of Employment Studies. - Jessica Sales, Higher Apprentice, SI Group-UK, Ltd. Finalist in the Higher Apprentice of the Year Award 2014. - Regina Tumblepot, Civil Engineering Technical Apprentice, Morgan Sindall. Awarded Crossrail Trade Apprentice of the Year Award 2014. 11.40 Refreshment break 11.50 Session 2: “Getting to the top” celebrating 50 years since Professor Dorothy Hodgkin won the Nobel Prize in Chemistry Chaired by Professor Ed Hinds FRS, Chair of the Royal Society’s Equality and Diversity Advisory Network • Key note speaker: Professor Dame Sally C Davies FRS, Chief Medical Officer for England & Chief Scientific Adviser, Department of Health. • Professor Ed Hinds FRS (Chair of the Royal Society’s Equality and Diversity Advisory Network) - Findings from the Dorothy Hodgkin Fellows career tracking study. • Panel session on ‘Getting to the top’. Panellists are: - Professor Cait MacPhee, Professor of Biological Physics, University of Edinburgh, Royal Society Dorothy Hodgkin Fellow 1999-2001. -
Part I Officers in Institutions Placed Under the Supervision of the General Board
2 OFFICERS NUMBER–MICHAELMAS TERM 2009 [SPECIAL NO.7 PART I Chancellor: H.R.H. The Prince PHILIP, Duke of Edinburgh, T Vice-Chancellor: 2003, Prof. ALISON FETTES RICHARD, N, 2010 Deputy Vice-Chancellors for 2009–2010: Dame SANDRA DAWSON, SID,ATHENE DONALD, R,GORDON JOHNSON, W,STUART LAING, CC,DAVID DUNCAN ROBINSON, M,JEREMY KEITH MORRIS SANDERS, SE, SARAH LAETITIA SQUIRE, HH, the Pro-Vice-Chancellors Pro-Vice-Chancellors: 2004, ANDREW DAVID CLIFF, CHR, 31 Dec. 2009 2004, IAN MALCOLM LESLIE, CHR, 31 Dec. 2009 2008, JOHN MARTIN RALLISON, T, 30 Sept. 2011 2004, KATHARINE BRIDGET PRETTY, HO, 31 Dec. 2009 2009, STEPHEN JOHN YOUNG, EM, 31 July 2012 High Steward: 2001, Dame BRIDGET OGILVIE, G Deputy High Steward: 2009, ANNE MARY LONSDALE, NH Commissary: 2002, The Rt Hon. Lord MACKAY OF CLASHFERN, T Proctors for 2009–2010: JEREMY LLOYD CADDICK, EM LINDSAY ANNE YATES, JN Deputy Proctors for MARGARET ANN GUITE, G 2009–2010: PAUL DUNCAN BEATTIE, CC Orator: 2008, RUPERT THOMPSON, SE Registrary: 2007, JONATHAN WILLIAM NICHOLLS, EM Librarian: 2009, ANNE JARVIS, W Acting Deputy Librarian: 2009, SUSANNE MEHRER Director of the Fitzwilliam Museum and Marlay Curator: 2008, TIMOTHY FAULKNER POTTS, CL Director of Development and Alumni Relations: 2002, PETER LAWSON AGAR, SE Esquire Bedells: 2003, NICOLA HARDY, JE 2009, ROGER DERRICK GREEVES, CL University Advocate: 2004, PHILIPPA JANE ROGERSON, CAI, 2010 Deputy University Advocates: 2007, ROSAMUND ELLEN THORNTON, EM, 2010 2006, CHRISTOPHER FORBES FORSYTH, R, 2010 OFFICERS IN INSTITUTIONS PLACED UNDER THE SUPERVISION OF THE GENERAL BOARD PROFESSORS Accounting 2003 GEOFFREY MEEKS, DAR Active Tectonics 2002 JAMES ANTHONY JACKSON, Q Aeronautical Engineering, Francis Mond 1996 WILLIAM NICHOLAS DAWES, CHU Aerothermal Technology 2000 HOWARD PETER HODSON, G Algebra 2003 JAN SAXL, CAI Algebraic Geometry (2000) 2000 NICHOLAS IAN SHEPHERD-BARRON, T Algebraic Geometry (2001) 2001 PELHAM MARK HEDLEY WILSON, T American History, Paul Mellon 1992 ANTHONY JOHN BADGER, CL American History and Institutions, Pitt 2009 NANCY A.