Sökning: WFRF:(Tulk Chris A.) >
Pressure-induced am...
Pressure-induced amorphization of noble gas clathrate hydrates
-
- B. Brant Carvalho, Paulo H. (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK),Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden,Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
-
- Mace, Amber, 1980- (författare)
- Uppsala universitet,Strukturkemi
-
- Andersson, Ove (författare)
- Umeå universitet,Institutionen för fysik,Umeå Univ, Dept Phys, SE-90187 Umeå, Sweden.
-
visa fler...
-
- Tulk, Chris A. (författare)
- Chemical and Engineering Materials Division, Oak Ridge National Laboratory, TN, Oak Ridge, United States,Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
-
- Molaison, Jamie (författare)
- Chemical and Engineering Materials Division, Oak Ridge National Laboratory, TN, Oak Ridge, United States,Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
-
- Lyubartsev, Alexander P. (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK),Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden,Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
-
- Nangoi, Inna M. (författare)
- Department of Chemistry, Federal University of Juiz de For a, Juiz de Fora-MG, Brazil,Univ Fed Juiz de Fora, Dept Chem, BR-36036900 Juiz De Fora, MG, Brazil.
-
- Leitão, Alexandre A. (författare)
- Department of Chemistry, Federal University of Juiz de For a, Juiz de Fora-MG, Brazil,Univ Fed Juiz de Fora, Dept Chem, BR-36036900 Juiz De Fora, MG, Brazil.
-
- Häussermann, Ulrich (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK),Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden,Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
-
visa färre...
-
(creator_code:org_t)
- American Physical Society, 2021
- 2021
- Engelska.
-
Ingår i: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 103:6
- Relaterad länk:
-
https://doi.org/10.1...
-
visa fler...
-
https://umu.diva-por... (primary) (Raw object)
-
https://uu.diva-port... (primary) (Raw object)
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
https://urn.kb.se/re...
-
visa färre...
Abstract
Ämnesord
Stäng
- The high-pressure structural behavior of the noble gas (Ng) clathrate hydrates Ar center dot 6.5 H2O and Xe center dot 7.2 H2O featuring cubic structures II and I, respectively, was investigated by neutron powder diffraction (using the deuterated analogues) at 95 K. Both hydrates undergo pressure-induced amorphization (PIA), indicated by the disappearance of Bragg diffraction peaks, but at rather different pressures, at 1.4 and above 4.0 GPa, respectively. Amorphous Ar hydrate can be recovered to ambient pressure when annealed at >1.5 GPa and 170 K and is thermally stable up to 120 K. In contrast, it was impossible to retain amorphous Xe hydrate at pressures below 3 GPa. Molecular dynamics (MD) simulations were used to obtain general insight into PIA of Ng hydrates, from Ne to Xe. Without a guest species, both cubic clathrate structures amorphize at 1.2 GPa, which is very similar to hexagonal ice. Filling of large-sized H cages does not provide stability toward amorphization for structure II, whereas filled small-sized dodecahedral D cages shift PIA successively to higher pressures with increasing size of the Ng guest. For structure I, filling of both kinds of cages, large-sized T and small-sized D, acts to stabilize in a cooperative fashion. Xe hydrate represents a special case. In MD, disordering of the guest hydration structure is already seen at around 2.5 GPa. However, the different coordination numbers of the two types of guests in the crystalline cage structure are preserved, and the state is shown to produce a Bragg diffraction pattern. The experimentally observed diffraction up to 4 GPa is attributed to this semicrystalline state.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- Elastic modulus
- Pressure effects
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas