Thermodynamics of hydrate systems using a uniform reference state

2021 ◽  
Author(s):  
Bjørn Kvamme ◽  
Jinzhou Zhao ◽  
Na Wei ◽  
Qingping Li ◽  
Navid Saeidi ◽  
...  
Keyword(s):  
Reference State

scholarly journals Estimates of direct radiative forcing due to aerosols from the MERRA-2 reanalysis over the Amazon region

2018 ◽  
Author(s):  
Brunna Penna ◽  
Dirceu Herdies ◽  
Simone Costa
Keyword(s):  
Radiative Forcing ◽  
Reanalysis Data ◽  
Amazon Region ◽  
Reference State ◽  
Aerosol Radiative Forcing ◽  
Aerosol Loading ◽  
Direct Radiative Forcing ◽  
Direct Forcing ◽  
The Difference ◽  
Natural Aerosols

Abstract. Sixteen years of analysis of clear-sky direct aerosol radiative forcing is presented for the Amazon region, with calculations of AERONET network, MODIS sensor and MERRA-2 reanalysis data. The results showed that MERRA-2 reanalysis is an excellent tool for calculating and providing the spatial distribution of aerosol direct radiative forcing. In addition, the difference between considering the reference state of the atmosphere without aerosol loading and with natural aerosol to obtain the aerosol direct radiative forcing is discussed. During the dry season, the monthly average direct forcing at the top of atmosphere varied from −9.60 to −4.20 Wm−2, and at the surface, it varied from −29.81 to −9.24 Wm−2, according to MERRA-2 reanalysis data and the reference state of atmosphere without aerosol loading. Already with the state of reference being the natural aerosols, the average direct forcing at the top of atmosphere varied from −5.15 to −1.18 Wm−2, and at the surface, it varied from −21.28 to −5.25 Wm−2; this difference was associated with the absorption of aerosols.

scholarly journals First Principles Calculations of Defects in Unstable Crystals: Austenitic Iron

2011 ◽  
Vol 1363 ◽  
Author(s):  
G.J. Ackland ◽  
T.P.C. Klaver ◽  
D.J. Hepburn
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Defect Formation ◽  
Single Layer ◽  
Temperature Limit ◽  
Reference State ◽  
First Principles Calculations ◽  
General Picture ◽  
Bcc Iron ◽  
Defect Energies

ABSTRACTFirst principles calculations have given a new insight into the energies of point defects in many different materials, information which cannot be readily obtained from experiment. Most such calculations are done at zero Kelvin, with the assumption that finite temperature effects on defect energies and barriers are small. In some materials, however, the stable crystal structure of interest is mechanically unstable at 0K. In such cases, alternate approaches are needed. Here we present results of first principles calculations of austenitic iron using the VASP code. We determine an appropriate reference state for collinear magnetism to be the antiferromagnetic (001) double-layer (AFM-d) which is both stable and lower in energy than other possible models for the low temperature limit of paramagnetic fcc iron. Another plausible reference state is the antiferromagnetic (001) single layer (AFM-1). We then consider the energetics of dissolving typical alloying impurities (Ni, Cr) in the materials, and their interaction with point defects typical of the irradiated environment. We show that the calculated defect formation energies have fairly high dependence on the reference state chosen: in some cases this is due to instability of the reference state, a problem which does not seem to apply to AFM-d and AFM-1. Furthermore, there is a correlation between local free volume magnetism and energetics. Despite this, a general picture emerge that point defects in austenitic iron have geometries similar to those in simpler, non-magnetic, thermodynamically stable FCC metals. The defect energies are similar to those in BCC iron. The effect of substitutional Ni and Cr on defect properties is weak, rarely more than tenths of eV, so it is unlikely that small amounts of Ni and Cr will have a significant effect on the radiation damage in austenitic iron at high temperatures.

scholarly journals Coupled cluster analysis of the U(1) lattice gauge model using a correlated "mean-field" reference state

1996 ◽  
Vol 53 (5) ◽  
pp. 2610-2618 ◽  
Author(s):  
S. J. Baker ◽  
R. F. Bishop ◽  
N. J. Davidson
Keyword(s):  
Cluster Analysis ◽  
Mean Field ◽  
Reference State ◽  
Coupled Cluster ◽  
Gauge Model ◽  
Lattice Gauge

Distributed discrete-time coordinated tracking with a time-varying reference state and limited communication

Automatica ◽  
2009 ◽  
Vol 45 (5) ◽  
pp. 1299-1305 ◽  
Author(s):  
Yongcan Cao ◽  
Wei Ren ◽  
Yan Li
Keyword(s):  
Discrete Time ◽  
Reference State ◽  
Time Varying ◽  
Limited Communication ◽  
Coordinated Tracking

Model study of the impact of orbital choice on the accuracy of coupled-cluster energies. I. Single-reference-state formulation

1998 ◽  
Vol 67 (4) ◽  
pp. 205-219 ◽  
Author(s):  
K. Jankowski ◽  
K. Kowalski ◽  
K. Rubiniec ◽  
J. Wasilewski
Keyword(s):  
Reference State ◽  
Coupled Cluster ◽  
Model Study ◽  
The Impact

ON TWO ALTERNATIVE MOTIVATIONS OF REFERENCE-STATE EXPRESSIONS FOR TURBULENT FLOWS WITH MASS TRANSFER

AIAA Journal ◽  
1963 ◽  
Vol 1 (5) ◽  
pp. 1206-1208 ◽  
Author(s):  
ELDON L. KNUTH
Keyword(s):  
Mass Transfer ◽  
Turbulent Flows ◽  
Reference State

Polarization propagator calculations with an AGP reference state

1984 ◽  
Vol 80 (5) ◽  
pp. 2009-2021 ◽  
Author(s):  
B. Weiner ◽  
Hans‐Jo/rgen Aa. Jensen ◽  
Y. Öhrn
Keyword(s):  
Reference State ◽  
Polarization Propagator
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