Ice Ic

Abstract: Amorphous solids are made mainly by cooling the liquid below the glass transition without crystallizing it, a method used since before recorded history1, and by depositing the vapour onto a cold plate2, as well as by several other methods3,4. We report here a new way—by ‘melting’ a solid by pressure below the glass transition of the liquid—and apply it to making a new kind of amorphous ice. Thus, ice I has been transformed to an amorphous phase, as determined by X-ray diffraction, by pressurizing it at 77 K to its extrapolated melting point of 10 kbar. At the melting point, the fluid is well below its glass transition. On heating at a rate of ∼2.6 K min−1 at zero pressure it transforms at ∼117 K to a second amorphous phase with a heat evolution of 42±∼8 J g−1 and at ∼152 K further transforms to ice I with a heat evolution of 92±∼15 J g−1. In one sample, ice Ic was formed and in another, existing crystals of ice Ih grew from the amorphous phase. Heating below the 117 K transition causes irreversible changes in the diffraction pattern, and a continuous range of amorphous phases can be made. Similar transformations will probably occur in all solids whose melting point decreases with increasing pressure if they can be cooled sufficiently for a transformation to a crystalline solid to be too slow.

Abstract: Invited Papers: MOLECULAR SIMULATIONS OF GAS HYDRATE NUCLEATION EXTRATERRESTRIAL ICE WITH EMPHASIS ON AGGREGATION/ INTERACTION WITH ORGANIC MATTER: COLLISIONAL AND ACCRETIONAL PROPERTIES OF MODEL PARTICLES INTERACTIONS BETWEEN SNOW METAMORPHISM AND CLIMATE: PHYSICAL AND CHEMICAL ASPECTS ICE ADHESION AND ICE FRICTION MODIFICATION USING PULSED THERMAL POWER IMPROVING OUR UNDERSTANDING OF GAS HYDRATE FORMATION PROCESSES: THE IMPORTANCE OF MULTI-TECHNIQUE APPROACHES FAST THERMAL DESORPTION SPECTROSCOPY AND MICROCALORIMETRY: NEW TOOLS TO UNCOVER MYSTERIES OF ICE SELECTION FOR 'ICE RESISTANCE', ANTIFREEZE PROTEINS AND ICE OR HYDRATE INHIBITION Contributed Papers: RAMAN SCATTERING STUDY OF PROTON ORDERED ICE-XI SINGLE CRYSTAL ON THE PERFORMANCE OF SIMPLE PLANAR MODELS OF WATER IN THE VAPOR AND THE ICE PHASES PHASES OF SUPERCOOLED LIQUID WATER USING GAUSSIAN CURVATURE FOR THE 3D SEGMENTATION OF SNOW GRAINS FROM MICROTOMOGRAPHIC DATA ETHANOL HYDRATES FORMED BY GAS CONDENSATION: INVESTIGATIONS BY RAMAN SCATTERING AND X-RAY DIFFRACTION DISLOCATION PATTERNING AND DEFORMATION PROCESSES IN ICE SINGLE CRYSTALS DEFORMED BY TORSION FORMATION OF CARBON DIOXIDE GAS HYDRATES IN FREEZING SEDIMENTS AND DECOMPOSITION KINETICS OF THE HYDRATES FORMED FIRST-PRINCIPLES STUDY OF BJERRUM DEFECTS IN ICE Ih: AN ANALYSIS OF FORMATION AND MIGRATION PROPERTIES FIRST-PRINCIPLES STUDY OF MOLECULAR POINT DEFECTS IN ICE Ih: INTERSTITIAL VS VACANCY FROM ICE TO CO2 HYDRATES AND BACK - STUDY OF NUCLEATION AND INITIAL GROWTH USING SCANNING ELECTRON MICROSCOPY THE TEMPERATURE GRADIENT METAMORPHISM OF SNOW: MODEL AND FIRST VALIDATIONS USING X-RAY MICROTOMOGRAPHIC IMAGES SUM FREQUENCY GENERATION ON SINGLE-CRYSTALLINE ICE Ih MODELLING ICE Ic OF DIFFERENT ORIGIN AND STACKING-FAULTED HEXAGONAL ICE USING NEUTRON POWDER DIFFRACTION DATA FUNDAMENTAL STUDIES FOR A NEW H2 SEPARATION METHOD USING GAS HYDRATES SEGREGATION OF SALT IONS AT AMORPHOUS SOLID AND LIQUID SURFACES THEORETICAL STUDY ON GASES IN HEXAGONAL ICE INVESTIGATED BY THE MOLECULAR ORBITAL METHOD DEVELOPMENT OF IN SITU LOW TEMPERATURE INFRARED SPECTROSCOPY FOR A STUDY OF METHANE HYDRATE A MECHANISM FOR PHOTOCHEMICAL REACTIONS IN THE QUASI-LIQUID LAYER OF SNOW CRYSTALS IN POLAR REGIONS TOPOLOGICAL TRANSITIONS BETWEEN ICE PHASES THE IMPORTANCE OF O-O BONDING INTERACTIONS IN VARIOUS PHASES OF ICE THE CHEMICAL CHARACTER OF VERY HIGH PRESSURE ICE PHASES REAL-SPACE STUDY OF MECHANICAL INSTABILITY OF ICE XI ON A 'BOND-BY-BOND' BASIS WATER-VAPOR TRANSPORT IN SNOW WITH HIGH TEMPERATURE GRADIENT EXPERIMENTAL GEOSCIENCE IN A FREEZER: ICE AND ICY COMPOUNDS AS USEFUL EDUCATIONAL ANALOGUES FOR TEACHING EARTH AND PLANETARY MATERIALS SCIENCE AND THE PHYSICAL SCIENCES CLASSIFICATION OF LOW-ENERGY CONFIGURATIONS OF POLYHEDRAL WATER CLUSTERS FROM CUBE UP TO BACKMINSTERFULLERENE ENERGY OPTIMIZATION OF GAS HYDRATE FRAMEWORKS ON THE BASIS OF DISCRETE MODELS OF INTER-MOLECULAR INTERACTIONS MICROSTRUCTURE OF GAS HYDRATES IN POROUS MEDIA TACKLING THE PROBLEM OF HYDROGEN BOND ORDER AND DISORDER IN ICE THEORETICAL STUDY OF A HYDROXIDE ION WITHIN THE ICE-Ih LATTICE ATOMIC FORCE MICROSCOPY OF REARRANGING ICE SURFACES IONISATION OF HCl ON ICE AT VERY LOW TEMPERATURE EFFECTS OF LARGE GUEST SPECIES ON THERMODYNAMIC PROPERTIES OF STRUCTURE-H HYDRATES PREDICTION OF THE CELLULAR MICROSTRUCTURE OF SEA ICE BY MORPHOLOGICAL STABILITY THEORY THE PLANAR-CELLULAR TRANSITION DURING FREEZING OF NATURAL WATERS CRYSTAL GROWTH OF ICE-I/HYDRATE EUTECTIC BINARY SOLUTIONS X-RAY TOMOGRAPHIC CHARACTERIZATION OF IMPURITIES IN POLYCRYSTALLINE ICE EFFECTS OF ADDITIVES AND COOLING RATES ON CRYOPRESERVATION PROCESS OF RAT CORTICAL CELLS LABORATORY STUDIES OF THE FORMATION OF CUBIC ICE IN AQUEOUS DROPLETS HYDRATE PHASE TRANSFORMATIONS IMPOSED BY GAS EXCHANGE MECHANISM OF CAGE FORMATION DURING GROWTH OF CH4 AND Xe CLATHRATE HYDRATES: A MOLECULAR DYNAMICS STUDY GROWTH KINETICS ON INTERFACE BETWEEN { } PLANE OF ICE AND WATER INVESTIGATED BY A MOLECULAR DYNAMICS SIMULATION CHOOSING AN APPROPRIATE WATER MODEL FOR USE IN BIOMOLECULAR SIMULATIONS MICRO-RAMAN STUDY OF AIR CLATHRATE HYDRATES IN POLAR ICE FROM DOME FUJI, ANTARCTICA HIGH PRESSURE NMR OF HYDROGEN-FILLED ICES BY DIAMOND ANVIL CELL ON THE USE OF THE KIHARA POTENTIAL FOR HYDRATE EQUILIBRIUM CALCULATIONS A NEW STRUCTURE OF AMORPHOUS ICE PROMOTED BY RADIATIONS THE RADICAL CHEMISTRY IN IRRADIATED ICE SPEEDSKATE ICE FRICTION: REVIEW AND NUMERICAL MODEL - FAST 10 FIRST PRINCIPLES COMPUTATIONAL STUDY OF HYDROGEN BONDS IN ICE Ih FREEZING OF WATER ON ?-Al2O3 SURFACES NEW HYDROGEN ORDERED PHASES OF ICE MICROSCOPIC OBSERVATION AND IN-SITU RAMAN STUDIES ON SOME SINGLE-CRYSTALLINE GAS HYDRATES UNDER HIGH PRESSURE CLATHRATE HYDRATE FORMATION AND GROWTH: EXPERIMENTAL OBSERVATIONS VERSUS PREDICTED BEHAVIOUR EFFECT OF SNOW ACCRETION TO THE GPS ANTENNA ON POSITIONING PERFORMANCE GAS HYDRATES IN THE SYSTEM H2-CH4 - H2O AT PRESSURES OF 45 TO 220 ??? AND CONCENTRATIONS OF 0 TO 70 MOL % ?2 CHEMISTRY INDUCED BY IMPLANTATION OF REACTIVE IONS IN WATER ICE STRUCTURE H HYDRATE KINETICS STUDIED BY NMR SPECTROSCOPY DIELECTRIC RELAXATION OF ICE SAMPLES GROWN FROM VAPOR-PHASE OR LIQUID-PHASE WATER ESR OBSERVATION OF SELF-PRESERVATION EFFECT OF METHANE HYDRATE INVESTIGATION OF THE STRUCTURAL DISORDER IN ICE Ih USING NEUTRON DIFFRACTION AND REVERSE MONTE CARLO MODELLING FIRST-PRINCIPLES CALCULATION OF STRUCTURE AND DYNAMICAL PROPERTIES OF ORIENTATIONAL DEFECTS IN ICE EFFECTS OF ADDITIVES ON FORMATION RATES OF CO2 HYDRATE FILMS RIPPLE FORMATION MECHANISM ON ICICLES UNDER A THIN SHEAR FLOW MOLECULAR SIMULATIONS OF WATER FREEZING: BRINE REJECTION AND HOMOGENEOUS NUCLEATION IMPLICATIONS FOR AND FINDINGS FROM DEEP ICE CORE DRILLINGS - AN EXAMPLE: THE ULTIMATE TENSILE STRENGTH OF ICE AT HIGH STRAIN RATES ISOTHERMAL AMORPHOUS-AMORPHOUS-AMORPHOUS TRANSITIONS IN WATER MECHANICAL STRENGTH AND FLOW PROPERTIES OF ICE-SILICATE MIXTURE DEPENDING ON THE SILICATE CONTENTS AND THE SILICATE PARTICLE SIZES ADSORPTION OF ANTIFREEZE PROTEIN AND A COMMERCIAL LOW DOSAGE HYDRATE INHIBITIOR ON HYDROPHILIC AND HYDROPHOBIC SURFACES DIFFUSION, INCORPORATION, AND SEGREGATION OF ANTIFREEZE GLYCOPROTEINS AT THE ICE/SOLUTION INTERFACE Subject Index

Abstract: The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. At ambient conditions, ice is considered to exist in two crystalline forms: stable hexagonal ice and metastable cubic ice. Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I. Stacking disorder and stacking faults have been reported earlier for metastable ice I, but only for ice crystallizing in mesopores and in samples recrystallized from high-pressure ice phases rather than in water droplets. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder. These findings highlight the need to reevaluate the physical and thermodynamic properties of this metastable ice as a function of the nature and extent of stacking disorder using well-characterized samples.

Abstract: The infrared spectra of Ice Ih made from H2O, D2O, a mixture of 95% H2O and 5% D2O, and a mixture of 5% H2O and 95% D2O, and of Ice Ic made from H2O, D2O, and a mixture of 95% H2O and 5% D2O, have been recorded in the region 4000 to 350 cm—1 using low‐temperature mulling techniques developed in these laboratories. The Ice Ic was made by transformation of Ices II and III, and was authenticated by its x‐ray diffraction powder pattern. The spectra of Ices Ih and Ic are identical within experimental error. The spectra of Ice Ih, while similar in their main features to those reported by earlier workers, differ significantly in detail, probably largely because much of the previous work, particularly on D2O ice, has been done with partly vitreous ice. The usual interpretation of the bands in terms of the v1, v2, v3, and vR vibrations of isolated molecules is greatly oversimplified because intermolecular coupling is important. There are at least six (five infrared and one Raman) bands due to O—D stretching vibrat...