Long Distance Life.

Warren, Nagueyalti; Golden, Marita

doi:10.2307/3041804

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…After a century, derived commercial aluminum alloy 2000 series are still one of the major material families used for aircraft manufacture. [3] Decades of explorations have linked up the conceptual road-map of age hardening in Al-Cu-Mg alloys, giving a mainline from the super saturated solid solution to a sequence of precipitations that finally impede the movement of dislocations. [4][5][6] The pres-ence, morphology, and competition of micro-structures were observed by experiments, [6][7][8][9] while their chemical formulas, atomic configurations, and relative stability were informed by theoretical calculations.…”

Section: Introductionmentioning

confidence: 99%

Accurate Deep Potential model for the Al–Cu–Mg alloy in the full concentration space*

Jiang¹,

Zhang²,

Zhang³

et al. 2021

Chinese Phys. B

View full text Add to dashboard Cite

Combining first-principles accuracy and empirical-potential efficiency for the description of the potential energy surface (PES) is the philosopher’s stone for unraveling the nature of matter via atomistic simulation. This has been particularly challenging for multi-component alloy systems due to the complex and non-linear nature of the associated PES. In this work, we develop an accurate PES model for the Al–Cu–Mg system by employing deep potential (DP), a neural network based representation of the PES, and DP generator (DP-GEN), a concurrent-learning scheme that generates a compact set of ab initio data for training. The resulting DP model gives predictions consistent with first-principles calculations for various binary and ternary systems on their fundamental energetic and mechanical properties, including formation energy, equilibrium volume, equation of state, interstitial energy, vacancy and surface formation energy, as well as elastic moduli. Extensive benchmark shows that the DP model is ready and will be useful for atomistic modeling of the Al–Cu–Mg system within the full range of concentration.

show abstract