Article
Chemistry, Physical
Lidi Shen, Wenhao Gai, Luwen Qin, Runfa Zhou, Shuhong Li
Summary: The new algorithm proposed greatly improves the efficiency of generating proton disordered ice Ih. By simulating the freezing process and observing the doping of salt ions and the growth of ice, the study found that only a small amount of chloride ions were doped into the structure of the growing ice, with no sodium ions observed.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Yoo Soo Yi, Yeongcheol Han, Kideok D. Kwon, Sung Keun Lee, Soon Do Hur
Summary: Atmospheric gases trapped in polar ice are used to reconstruct global climate changes with better time resolution. Experimental results show that gas diffusion in ice can be neglected on a laboratory time scale, but remain unclear for old glacial ice (>1M yr).
ACS EARTH AND SPACE CHEMISTRY
(2021)
Article
Mechanics
Giulio Biroli, Marc Mezard
Summary: This article analyzes the application of generative models based on diffusion in high-dimensional cases, focusing on Gaussian model and Curie-Weiss model of ferromagnetism. The study highlights the mechanism of symmetry breaking in inverse diffusion and emphasizes the need for a database with a much larger number of points than the dimension of each data point to obtain the correct probability weights.
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT
(2023)
Article
Chemistry, Physical
Jyotirmoy Ghosh, Gaurav Vishwakarma, Subhadip Das, Thalappil Pradeep
Summary: This study investigates the dissociation of formaldehyde hydrate under ultrahigh vacuum conditions, leading to a new and facile route for the crystallization of ice I-h with lower activation energy. The findings suggest potential implications for cometary and prebiotic science in interstellar environments.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Yuga Yashima, Yusuke Okada, Makoto Harada, Tetsuo Okada
Summary: The study used X-ray absorption fine structure to investigate the local structures of K+ and Cl- accommodated in ice Ih single crystals. The results suggest that these ions may replace water molecules in the ice crystal lattice and are accommodated in tetrahedral coordination cages.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Crystallography
Igor V. Kudryakov, Vadim S. Efimchenko, Gleb G. Fetisov, Maria A. Korotkova, Artur R. Oganov
Summary: The processes of crystallization and melting under an alternating electromagnetic field were studied using thermometry, differential scanning calorimetry, and X-ray diffraction. The obtained ice samples consisted of several phases with a higher density than ordinary ice. The crystallization time of this ice was approximately 2.2 times shorter than ordinary ice, and the melting process exhibited an endothermic effect and a lower melting point. This phenomenon is similar to the melting of metastable phases and is attributed to the action of the electromagnetic field on the hydrogen bond network of liquid water.
Editorial Material
Chemistry, Multidisciplinary
Thierry Buffeteau, Lionel Hirsch, Dario M. Bassani
Summary: A recent study by Cahen and colleagues revealed that the diffusion constant for proton migration in methylammonium lead triiodide single crystals is 2 x 10(5)-fold greater than previously reported. This increase in diffusion was attributed to defects serving as high-diffusivity paths in the macroscopic single crystals.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Physical
Wilfried B. Holzapfel, Stefan Klotz
Summary: New data and evaluations provide a basis for the thermodynamic modeling of ice Ih, with the model accurately fitting experimental data and providing a basis for comparison with previous determinations.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Meteorology & Atmospheric Sciences
John D. Patterson, Eric S. Saltzman
Summary: Experimental determination of H-2 permeability, diffusivity, and solubility in ice Ih at temperatures relevant to polar ice sheets shows that diffusive equilibrium between open and closed pores is likely achieved in the firn lock-in zone. Significant diffusive smoothing of atmospheric variations in the ice sheet should be considered in atmospheric reconstructions on millennial time scales. The slow diffusive losses from bubbly ice samples allow for meaningful analysis of H-2 after storage on the order of a year.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2021)
Article
Chemistry, Physical
P. Montero de Hijes, J. R. Espinosa, C. Vega, C. Dellago
Summary: Despite the lack of research on ice nucleation at negative pressures, this study explores homogeneous ice nucleation in stretched water using molecular dynamics simulations. The results show that the critical nucleus size, interfacial free energy, free energy barrier, and nucleation rate remain constant across a wide pressure range. Additionally, the pressure dependence of the interfacial free energy is found to be related to the excess entropy and the slope of the melting line. The study also estimates the excess internal energy and entropy of the ice-water interface.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Thermodynamics
Bifeng Yin, Sheng Xu, Hekun Jia, Fei Dong
Summary: Through the establishment and study of the model, it was found that the perforated gas diffusion layer has better ice melting ability than the traditional gas diffusion layer. The width and hole depth have an influence on the melting rate, while increasing the number of holes can result in more even temperature distribution.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2022)
Article
Chemistry, Physical
Pengchang Wei, Daoyang Zhuang, Yuan-Yuan Zheng, Ali Zaoui, Wei Ma
Summary: In this study, the tensile behavior of ice-Ih was investigated using Molecular Dynamics simulation method. It was found that the tensile strength of ice-Ih decreased linearly with increasing temperature under low strain rate. The observed solid-solid and solid-liquid phase transitions had a significant impact on the evolution of total potential energy increment and structural failure. Additionally, higher confining pressure resulted in earlier and more likely melting of ice-Ih.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Mathematics, Applied
Andrey Shishkov
Summary: This article studies the condition for the existence of a very singular solution with a strong singularity, based on the degeneracy order and uniqueness of the solution.
CALCULUS OF VARIATIONS AND PARTIAL DIFFERENTIAL EQUATIONS
(2022)
Article
Chemistry, Physical
Senhao Zhang, Sheng Xu, Fei Dong
Summary: In this study, a three-dimensional model was established using the lattice Boltzmann method to investigate the ice melting process in the gas diffusion layer of a proton exchange membrane fuel cell. The effects of carbon fiber number, growth slope, and diameter on ice melting were studied. The results showed that temperature distribution, melting rate, and solid-liquid interface position were influenced by the parameters of the gas diffusion layer.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Biochemistry & Molecular Biology
Denis G. Knyazev, Todd P. Silverstein, Stefania Brescia, Anna Maznichenko, Peter Pohl
Summary: The high propensity of protons to stay at interfaces has attracted much attention. A hypothesis called TELP, which envisions static H+ and OH- layers on opposite sides of interfaces, has been proposed to explain this phenomenon and the long-range proton diffusion along the membrane surface.
