Replica exchange MD simulations of two-dimensional water in graphene nanocapillaries: rhombic versus square structures, proton ordering, and phase transitions

2019 ◽  
Vol 21 (32) ◽  
pp. 17640-17654
Author(s):  
Shujuan Li ◽  
Burkhard Schmidt
Keyword(s):  
Phase Transitions ◽  
Minimum Energy ◽  
Md Simulations ◽  
Replica Exchange ◽  
Graphene Sheets ◽  
Two Dimensional ◽  
Proton Ordering

Minimum energy structures of quasi-two dimensional ice confined between graphene sheets.

scholarly journals Phase transitions in GLSMs and defects

2021 ◽  
Vol 2021 (5) ◽  
Author(s):  
Ilka Brunner ◽  
Fabian Klos ◽  
Daniel Roggenkamp
Keyword(s):  
Phase Transitions ◽  
Boundary Conditions ◽  
Sigma Models ◽  
Domain Walls ◽  
Two Dimensional ◽  
Linear Sigma Models

Abstract In this paper, we construct defects (domain walls) that connect different phases of two-dimensional gauged linear sigma models (GLSMs), as well as defects that embed those phases into the GLSMs. Via their action on boundary conditions these defects give rise to functors between the D-brane categories, which respectively describe the transport of D-branes between different phases, and embed the D-brane categories of the phases into the category of D-branes of the GLSMs.

Magnetic Phase Transitions in the Two-Dimensional Random Mixture K2CuxCo1-xF4with Competing Exchange Interactions

1990 ◽  
Vol 59 (5) ◽  
pp. 1792-1800 ◽  
Author(s):  
Masayuki Itoh ◽  
Isao Yamada ◽  
Mamoru Ishizuka ◽  
Kiichi Amaya ◽  
Tatsuo Kobayashi ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Magnetic Phase ◽  
Exchange Interactions ◽  
Magnetic Phase Transitions ◽  
Two Dimensional ◽  
Random Mixture

Intriguing Strain-Governed Magnetic Phase Transitions in 2D Vanadium Porphyrin Sheet

2022 ◽  
Author(s):  
Qi Wang ◽  
Zhilu Zhang ◽  
Hai-Cai Huang ◽  
Xinyu song ◽  
Yuxiang Bu
Keyword(s):  
Magnetic Properties ◽  
Phase Transitions ◽  
Magnetic Phase ◽  
2D Materials ◽  
Magnetic Phase Transitions ◽  
Strain Effect ◽  
Magnetic Response ◽  
Two Dimensional ◽  
Spintronic Devices ◽  
Electronic And Magnetic Properties

The strain effect on the magnetic response of the 2D materials as spintronic devices are always important in actual applications. Due to the intriguing electronic and magnetic properties of two-dimensional...

Colossal Barocaloric Effects with Ultralow Hysteresis in Two-Dimensional Metal–Halide Perovskites

2021 ◽  
Author(s):  
Jarad Mason ◽  
Jinyoung Seo ◽  
Ryan McGillicuddy ◽  
Adam Slavney ◽  
Selena Zhang ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Phase Transitions ◽  
Solid State ◽  
Hydrostatic Pressure ◽  
Metal Halide ◽  
Two Dimensional ◽  
Vapor Compression ◽  
Entropy Changes ◽  
Halide Perovskites ◽  
Solid State Cooling

Abstract Nearly 4,400 TWh of electricity—20% of the total consumed in the world—is used each year by refrigerators, air conditioners, and heat pumps for cooling. In addition to the 2.3 Gt of carbon dioxide emitted during the generation of this electricity, the vapor-compression-based devices that provided the bulk of this cooling emitted fluorocarbon refrigerants with a global warming potential equivalent to 1.5 Gt of carbon dioxide into the atmosphere. With population and economic growth expected to dramatically increase over the next several decades, the development of alternative cooling technologies with improved efficiency and reduced emissions will be critical to meeting global cooling needs in a more sustainable fashion. Barocaloric materials, which undergo thermal changes in response to applied hydrostatic pressure, offer the potential for solid-state cooling with high energy efficiency and zero direct emissions, as well as faster start-up times, quieter operation, greater amenability to miniaturization, and better recyclability than conventional vapor-compression systems. Efficient barocaloric cooling requires materials that undergo reversible phase transitions with large entropy changes, high sensitivity to hydrostatic pressure, and minimal hysteresis, the combination of which has been challenging to achieve in existing barocaloric materials. Here, we report a new mechanism for achieving colossal barocaloric effects near ambient temperature that exploits the large volume and conformational entropy changes of hydrocarbon chain-melting transitions within two-dimensional metal–halide perovskites. Significantly, we show how the confined nature of these order–disorder phase transitions and the synthetic tunability of layered perovskites can be leveraged to reduce phase transition hysteresis through careful control over the inorganic–organic interface. The combination of ultralow hysteresis (< 1.5 K) and high barocaloric coefficients (> 20 K/kbar) leads to large reversible isothermal entropy changes (> 200 J/kg•K) at record-low pressures (< 300 bar). We anticipate that these results will help facilitate the development of barocaloric cooling technologies and further inspire new materials and mechanisms for efficient solid-state cooling.

Spin dynamics and magnetic phase transitions in the quasi-two-dimensional antiferromagnet Mn[C10H6(OH)(COO−)]2×2H2O

2007 ◽  
Vol 33 (5) ◽  
pp. 427-432
Author(s):  
K. G. Dergachev ◽  
M. I. Kobets ◽  
E. N. Khatsko ◽  
V. M. Khrustalev ◽  
V. A. Pashchenko
Keyword(s):  
Phase Transitions ◽  
Magnetic Phase ◽  
Spin Dynamics ◽  
Magnetic Phase Transitions ◽  
Two Dimensional
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