scholarly journals Reversible structural transformations in supercooled liquid water from 135 to 245 K

Science ◽  
2020 ◽  
Vol 369 (6510) ◽  
pp. 1490-1492
Author(s):  
Loni Kringle ◽  
Wyatt A. Thornley ◽  
Bruce D. Kay ◽  
Greg A. Kimmel
Keyword(s):  
Structural Changes ◽  
Supercooled Water ◽  
Supercooled Liquid ◽  
Structural Transformations ◽  
Limited Data ◽  
Supercritical Regime ◽  
Water Films ◽  
Fundamental Understanding ◽  
Full Temperature ◽  
State Configuration

A fundamental understanding of the unusual properties of water remains elusive because of the limited data at the temperatures and pressures needed to decide among competing theories. We investigated the structural transformations of transiently heated supercooled water films, which evolved for several nanoseconds per pulse during fast laser heating before quenching to 70 kelvin (K). Water’s structure relaxed from its initial configuration to a steady-state configuration before appreciable crystallization. Over the full temperature range investigated, all structural changes were reversible and reproducible by a linear combination of high- and low-temperature structural motifs. The fraction of the liquid with the high-temperature motif decreased rapidly as the temperature decreased from 245 to 190 K, consistent with the predictions of two-state “mixture” models for supercooled water in the supercritical regime.

Study of the structural degradation of steel 15Kh5M upon continuous duty

2020 ◽  
Vol 86 (1) ◽  
pp. 38-43
Author(s):  
Vladimir A. Kim ◽  
Valeriya V. Lysenko ◽  
Anna A. Afanaseva ◽  
Khasan I. Turkmenov
Keyword(s):  
Grain Boundaries ◽  
Structural Changes ◽  
Structural Transformations ◽  
Structural Degradation ◽  
Structural Arrangement ◽  
Dispersed Particles ◽  
Complex Process ◽  
Multifractal Spectra ◽  
Steel 15Kh5m ◽  
Complex Indicators

Structural degradation of the material upon long-term thermal and force impacts is a complex process which includes migration of the grain boundaries, diffusion of the active elements of the external and technological environment, hydrogen embrittlement, aging, grain boundary corrosion and other mechanisms. Application of the fractal and multifractal formalism to the description of microstructures opens up wide opportunities for quantitative assessment of the structural arrangement of the material, clarifies and reveals new aspects of the known mechanisms of structural transformations. Multifractal parameterization allows us to study the processes of structural degradation from the images of microstructures and identify structural changes that are hardly distinguishable visually. Any quantitative structural indicator can be used to calculate the multifractal spectra of the microstructure, but the most preferable is that provides the maximum range of variation in the numerical values of the multifractal components. The results of studying structural degradation of steel 15Kh5M upon continuous duty are presented. It is shown that structural degradation of steel during operation under high temperatures and stresses is accompanied by enlargement of the microstructural objects, broadening of the grain boundaries and allocation of the dispersed particles which are represented as point objects in the images. The processes of structural degradation lead to an increase in the range of changes in the components of the multifractal spectra. High values of complex indicators of structural arrangement indicate to an increase in heterogeneity and randomness at the micro-scale level, but at the same time, to manifestation of the ordered combinations of individual submicrostructures. Those structural transformations adapt the material to external impacts and provide the highest reliability and fracture resistance of the material.

scholarly journals THU0319 DEVELOPMENT AND OUTCOME OF AORTIC COMPLICATIONS DURING TOCILIZUMAB TREATMENT OF GCA AND HISTOPATHOLOGIC EVIDENCE OF RESIDUAL INFLAMMATION-A CASE SERIES.

2020 ◽  
Vol 79 (Suppl 1) ◽  
pp. 388.2-389
Author(s):  
A. Rubbert-Roth ◽  
P. K. Bode ◽  
T. Langenegger ◽  
C. Pfofe ◽  
T. Neumann ◽  
...  
Keyword(s):  
Structural Changes ◽  
Case Series ◽  
Aortic Aneurysms ◽  
Imaging Data ◽  
Limited Data ◽  
Retrospective Case ◽  
Pet Ct ◽  
Fdg Pet Ct ◽  
Pet Ct Scan

Background:Giant cell arteritis (GCA) may affect the aorta and the large aortic branches and lead to dissections and aortic aneurysms. Tocilizumab (TCZ) treatment has the capacity to control aortic inflammation as has been demonstrated by CRP normalization and imaging data. However, limited data are available on the histopathological findings obtained from patients who underwent surgery because of aortic complications during TCZ treatment.Objectives:We report on 5 patients with aortitis who were treated with TCZ and developed aortic complications.Methods:We describe a retrospective case series of patients with GCA treated with TCZ, who presented in our clinic between 2011 and 2019. Three patients underwent surgery. Histopathologic examination was performed in specimen from all of them.Results:Five female patients were diagnosed with GCA (4/5) or Takaysu arteritis (1/5) involving the aorta, all them diagnosed by MR angiography and/or FDG PET CT scan. Three patients (one with aortic aneurysm, one with dissection) underwent surgery after having been treated with TCZ for seven weeks, nine months and four years, respectively. Imaging before surgery showed remission on MRI and/or PET-CT in all cases. At the time of surgery, all patients showed normalized CRP and ESR values. Histopathological evaluation of the aortic wall revealed infiltrates, consisting predominantly of CD3+CD4+ T cells. Enlargement of pre-existing aneuryms was observed in the other two patients 10 weeks and 4 months after discontinuation of TCZ, respectively. Both patients were not eligible for surgical intervention and died during follow-up.Conclusion:Our case series suggests that during treatment with TCZ, regular imaging is necessary in this patient population to detect development of structural changes such as aneurysms or dissections. Despite treatment, residual inflammation might persist which could contribute to eventual aortic complications.Disclosure of Interests:Andrea Rubbert-Roth Consultant of: Abbvie, BMS, Chugai, Pfizer, Roche, Janssen, Lilly, Sanofi, Amgen, Novartis, Peter Karl Bode: None declared, Thomas Langenegger: None declared, Claudia Pfofe: None declared, Thomas Neumann: None declared, Olaf Chan-Hi Kim: None declared, Johannes von Kempis Consultant of: Roche

scholarly journals Comprehensive model for X-ray-induced damage in protein crystallography

2019 ◽  
Vol 26 (4) ◽  
pp. 945-957 ◽  
Author(s):  
David M. Close ◽  
William A. Bernhard
Keyword(s):  
Structural Changes ◽  
Theoretical Calculations ◽  
Comprehensive Model ◽  
Additional Insight ◽  
Radiation Physics ◽  
X Ray ◽  
Fundamental Understanding ◽  
Radiation Induced ◽  
The Many ◽  
Significant Effort

Acquisition of X-ray crystallographic data is always accompanied by structural degradation owing to the absorption of energy. The application of high-fluency X-ray sources to large biomolecules has increased the importance of finding ways to curtail the onset of X-ray-induced damage. A significant effort has been under way with the aim of identifying strategies for protecting protein structure. A comprehensive model is presented that has the potential to explain, both qualitatively and quantitatively, the structural changes induced in crystalline protein at ∼100 K. The first step is to consider the qualitative question: what are the radiation-induced intermediates and expected end products? The aim of this paper is to assist in optimizing these strategies through a fundamental understanding of radiation physics and chemistry, with additional insight provided by theoretical calculations performed on the many schemes presented.

scholarly journals Measurements of the Vapor Pressure of Supercooled Water Using Infrared Spectroscopy

2008 ◽  
Vol 25 (9) ◽  
pp. 1724-1729 ◽  
Author(s):  
Will Cantrell ◽  
Eli Ochshorn ◽  
Alexander Kostinski ◽  
Keith Bozin
Keyword(s):  
Infrared Spectroscopy ◽  
Vapor Pressure ◽  
Liquid Water ◽  
Water Film ◽  
Supercooled Water ◽  
Supercooled Liquid ◽  
Quantitative Change ◽  
Wetting Transition ◽  
Higher Temperature

Abstract Measurements are presented of the vapor pressure of supercooled water utilizing infrared spectroscopy, which enables unambiguous verification that the authors’ data correspond to the vapor pressure of liquid water, not a mixture of liquid water and ice. Values of the vapor pressure are in agreement with previous work. Below −13°C, the water film that is monitored to determine coexistence of liquid water (at one temperature) and ice (at another, higher, temperature) de-wets from the hydrophilic silicon prism employed in the authors’ apparatus. The de-wetting transition indicates a quantitative change in the structure of the supercooled liquid.

scholarly journals Effects of hydrogen bonding on supercooled liquid dynamics and the implications for supercooled water

2009 ◽  
Vol 79 (17) ◽  
Author(s):  
J. Mattsson ◽  
R. Bergman ◽  
P. Jacobsson ◽  
L. Börjesson
Keyword(s):  
Hydrogen Bonding ◽  
Supercooled Water ◽  
Supercooled Liquid ◽  
Liquid Dynamics

Influence of annealing on structural relaxation, crystallization, and deformation behavior of a Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass

2007 ◽  
Vol 22 (7) ◽  
pp. 1849-1858 ◽  
Author(s):  
Kwang Seok Lee ◽  
Jürgen Eckert ◽  
Hyun-Joon Jun ◽  
Young Won Chang
Keyword(s):  
Mechanical Properties ◽  
Metallic Glass ◽  
Bulk Metallic Glass ◽  
Deformation Behavior ◽  
Structural Changes ◽  
Supercooled Liquid ◽  
Supercooled Liquid Region ◽  
Liquid Region ◽  
Compression Tests ◽  
X Ray

The influence of annealing on the structural changes and the mechanical properties of Zr41.2Ti13.8Cu12.5Ni10Be22.5 (Vit-1) bulk metallic glass was systematically studied by varying the annealing times at 703 K. The evolution of the structural state at a relatively high temperature within the supercooled liquid region was studied by thermal analysis, x-ray diffraction, high-resolution transmission electron microscopy, extended x-ray absorption fine structure, and dilatometric measurements. The deformation behavior and the mechanical properties were also examined by carrying out hardness and compression tests for the specimens annealed for various times.

Ice Nucleation and Growth in Supercooled Water Films Condensed on a Hydrophobic Surface

Nature ◽  
1964 ◽  
Vol 203 (4952) ◽  
pp. 1343-1345 ◽  
Author(s):  
HENRY M. PAPÉE ◽  
ALBERTO C. MONTEFINALE ◽  
T. W. ZAWIDZKI
Keyword(s):  
Supercooled Water ◽  
Hydrophobic Surface ◽  
Nucleation And Growth ◽  
Ice Nucleation ◽  
Water Films

scholarly journals Volume analysis of supercooled water under high pressure

MRS Advances ◽  
2018 ◽  
Vol 3 (41) ◽  
pp. 2467-2478
Author(s):  
Solomon F. Duki ◽  
Mesfin Tsige
Keyword(s):  
High Pressure ◽  
Water Sample ◽  
High Pressures ◽  
Supercooled Water ◽  
Supercooled Liquid ◽  
Chem Phys ◽  
Bulk Water ◽  
Isothermal Compression ◽  
Emulsified Water ◽  
Dynamics Simulations

ABSTRACTMotivated by an experimental finding on the density of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric ensemble. Cooling and heating cycles at different isobars and isothermal compression at different temperatures are performed on the water sample with pressures that range from 0 to 1.0 GPa. The cooling simulations are done at temperatures that range from 40 K to 380 K using two different cooling rates, 10 K/ns and 10 K/5 ns. For the heating simulations we used the slowest heating rate (10 K/5 ns) by applying the same range of isobars. Our analysis of the variation of the volume of the bulk water sample with temperature at different pressures from both isobaric cooling/heating and isothermal compression cycles indicates a concave-downward curvature at high pressures that is consistent with the experiment for emulsified water. In particular, a strong concave down curvature is observed between the temperatures 180 K and 220 K. Below the glass transition temperature, which is around 180 K at 1GPa, the volume turns to concave upward curvature. No crystallization of the supercooled liquid state was observed below 180 K even after running the system for an additional microsecond.

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