Thermodynamic description of the Ag–(Ca, Li, Zn) and Ca–(In, Li) binary systems

Predicted Stable Structures of the Li–Ag System at High Pressures

“…were systematically performed up to 50 GPa at 0 K. The pressure–composition phase diagram at 0 K for the Li m Ag n system is calculated, as shown in Figure , in which the convex hull (Figure a) was constructed by the calculated enthalpies of the most stable structures for each composition. At ambient pressure, our structure searching calculations rapidly reproduced the known Fm 3̅ m phase of Li 3 Ag, the CsCl ( Pm 3̅ m ) phase of LiAg, the UPb ( I 4 1 / amd ) phase of LiAg, and the I 4/ mmm phase of LiAg 3 . − For LiAg, the UPb phase is much more favorable than the CsCl phase with a 0.6 meV/atom energy difference at ambient pressure, which is almost identical to the value in the previous work. − Upon compression, however, the CsCl ( Pm 3̅ m ) phase becomes more stable in the pressure range of 1–50 GPa. For Li 3 Ag, we uncovered an energetically more favorable structure ( Pmnm phase) with a Δ H value that is 4.7 meV/atom lower than for the Fm 3̅ m phase at ambient pressure.…”

Coralloid Carbon Fiber-Based Composite Lithium Anode for Robust Lithium Metal Batteries

“…Ag can be easily dissolved in molten Li when the atomic percentage of Li is higher than 71.6% above 170 C from the Ag-Li binary phase diagram (Figure S5). 49,50 As a result, when the CF/Ag electrode contacts with the molten Li, every fiber in CF/Ag can be automatically and rapidly covered with molten eutectic Ag-Li alloy and molten Li metal, leading to the fully infused Li electrode (Figure S6). When the solid solution of Ag-Li is cooled to room temperature, the Ag-Li alloy phase (Ag-Li, Ag-Li 3 , etc.)…”

Critical evaluation and thermodynamic optimization of the (U + Bi), (U + Si) and (U + Sn) binary systems

“…The thermodynamic properties of the liquid phase were modelled using the Modified Quasichemical Model in the Pair Approximation (MQMPA) developed by Pelton et al [56,57], which has been applied successfully in previous works [58][59][60][61][62]. A detailed description of the MQMPA and its associated notation are given in references [56,57].…”