Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds

Author(s):  
Matthew S. Christian ◽  
Erin R. Johnson ◽  
Theodore M. Besmann
1979 ◽  
Vol 40 (C4) ◽  
pp. C4-22-C4-23 ◽  
Author(s):  
J. Keller ◽  
M. Erbudak

1979 ◽  
Vol 40 (C4) ◽  
pp. C4-19-C4-21 ◽  
Author(s):  
R. Allen ◽  
M. S.S. Brooks

1981 ◽  
Vol 42 (C4) ◽  
pp. C4-395-C4-398 ◽  
Author(s):  
M. Wautelet ◽  
R. Andrew ◽  
M. Failly-Lovato ◽  
L. D. Laude

1986 ◽  
Vol 64 (1-2) ◽  
pp. 87-104 ◽  
Author(s):  
N. E. Alekseevskii ◽  
V. I. Nizhankovskii ◽  
V. N. Narozhnyi ◽  
E. P. Khlybov ◽  
A. V. Mitin
Keyword(s):  

2021 ◽  
Vol 103 (2) ◽  
Author(s):  
V. A. Dzuba ◽  
Saleh O. Allehabi ◽  
V. V. Flambaum ◽  
Jiguang Li ◽  
S. Schiller

2021 ◽  
Author(s):  
Nikolay G. Chernorukov ◽  
Oxana V. Nipruk ◽  
Kseniya A. Klinshova ◽  
Olga N. Tumaeva ◽  
Dmitry V. Sokolov

A series of new uranium compounds [MII(H2O)3][(UO2)3O3(OH)2]·2H2O (MII – Mn, Co, Ni, Zn) were synthesized for binding radionuclides in the environment and nuclear fuel cycle.


2021 ◽  
Vol 184 (1) ◽  
Author(s):  
Gianmarco Bet ◽  
Vanessa Jacquier ◽  
Francesca R. Nardi

AbstractWe consider the problem of metastability for stochastic dynamics with exponentially small transition probabilities in the low temperature limit. We generalize previous model-independent results in several directions. First, we give an estimate of the mixing time of the dynamics in terms of the maximal stability level. Second, assuming the dynamics is reversible, we give an estimate of the associated spectral gap. Third, we give precise asymptotics for the expected transition time from any metastable state to the stable state using potential-theoretic techniques. We do this in a general reversible setting where two or more metastable states are allowed and some of them may even be degenerate. This generalizes previous results that hold for a series of only two metastable states. We then focus on a specific Probabilistic Cellular Automata (PCA) with configuration space $${\mathcal {X}}=\{-1,+1\}^\varLambda $$ X = { - 1 , + 1 } Λ where $$\varLambda \subset {\mathbb {Z}}^2$$ Λ ⊂ Z 2 is a finite box with periodic boundary conditions. We apply our model-independent results to find sharp estimates for the expected transition time from any metastable state in $$\{\underline{-1}, {\underline{c}}^o,{\underline{c}}^e\}$$ { - 1 ̲ , c ̲ o , c ̲ e } to the stable state $$\underline{+1}$$ + 1 ̲ . Here $${\underline{c}}^o,{\underline{c}}^e$$ c ̲ o , c ̲ e denote the odd and the even chessboard respectively. To do this, we identify rigorously the metastable states by giving explicit upper bounds on the stability level of every other configuration. We rely on these estimates to prove a recurrence property of the dynamics, which is a cornerstone of the pathwise approach to metastability.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jan Ravnik ◽  
Michele Diego ◽  
Yaroslav Gerasimenko ◽  
Yevhenii Vaskivskyi ◽  
Igor Vaskivskyi ◽  
...  

AbstractMetastable self-organized electronic states in quantum materials are of fundamental importance, displaying emergent dynamical properties that may be used in new generations of sensors and memory devices. Such states are typically formed through phase transitions under non-equilibrium conditions and the final state is reached through processes that span a large range of timescales. Conventionally, phase diagrams of materials are thought of as static, without temporal evolution. However, many functional properties of materials arise as a result of complex temporal changes in the material occurring on different timescales. Hitherto, such properties were not considered within the context of a temporally-evolving phase diagram, even though, under non-equilibrium conditions, different phases typically evolve on different timescales. Here, by using time-resolved optical techniques and femtosecond-pulse-excited scanning tunneling microscopy (STM), we track the evolution of the metastable states in a material that has been of wide recent interest, the quasi-two-dimensional dichalcogenide 1T-TaS2. We map out its temporal phase diagram using the photon density and temperature as control parameters on timescales ranging from 10−12 to 103 s. The introduction of a time-domain axis in the phase diagram enables us to follow the evolution of metastable emergent states created by different phase transition mechanisms on different timescales, thus enabling comparison with theoretical predictions of the phase diagram, and opening the way to understanding of the complex ordering processes in metastable materials.


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