Ultra-high-density local structure in liquid water
نویسندگان
چکیده
منابع مشابه
The electronic structure of liquid water within density-functional theory.
In the last decade, computational studies of liquid water have mostly concentrated on ground-state properties. However, recent spectroscopic measurements have been used to infer the structure of water, and the interpretation of optical and x-ray spectra requires accurate theoretical models of excited electronic states, not only of the ground state. To this end, we investigate the electronic pro...
متن کاملEvidence for liquid water during the high-density to low-density amorphous ice transition.
Polymorphism of water has been extensively studied, but controversy still exists over the phase transition between high-density amorphous (HDA) and low-density amorphous (LDA) ice. We report the phase behavior of HDA ice inside high-pressure cryocooled protein crystals. Using X-ray diffraction, we demonstrate that the intermediate states in the temperature range from 80 to 170 K can be reconstr...
متن کاملThe Structure of Liquid Water
Recent experimental and theoretical applications of x-ray spectroscopies to liquid water shed new light on the hydrogen bonding network. The interpretation of the x-ray data questions the established understanding of liquid water. Two new system experts have joined the NSC forces. The structure of the first coordination shell in liquid water. Illustration by Hirohito Ogasaware. The construction...
متن کاملUltra-high current density water management in polymer electrolyte fuel cell with porous metallic flow field
Anode dry-out is the main mechanism identified to limit operation in an open metallic element (OME) PEFC. The fundamental water transport mechanisms in the OME PEFC were examined in order to engineer further improved performance and higher temperature operation required for efficient heat rejection. Specifically, the net water drag (NWD) was measured over a range of conditions and analyzed with...
متن کاملLocal structure order in Pd78Cu6Si16 liquid
The short-range order (SRO) in Pd78Cu6Si16 liquid was studied by high energy x-ray diffraction and ab initio molecular dynamics (MD) simulations. The calculated pair correlation functions at different temperatures agree well with the experimental results. The partial pair correlation functions from ab intio MD simulations indicate that Si atoms prefer to be uniformly distributed while Cu atoms ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chinese Physics B
سال: 2019
ISSN: 1674-1056,2058-3834
DOI: 10.1088/1674-1056/ab4710