Výsledky vyhledávání - "Lawson, John W"

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Thermodynamic Integration for Dynamically Unstable Systems Using Interatomic Force Constants without Molecular Dynamics

Autor: Park, Junsoo, Wu, Zhigang, Lawson, John W.

We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is performed without

Externí odkaz: http://arxiv.org/abs/2403.08644

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Energy-composition relations in Ni$_3$(Al$_{1-x}$X$_x$) phases

Autor: Zarkevich, Nikolai A., Smith, Timothy M., Lawson, John W.

Publikováno v: Crystals 13(6), 943 (2023)

The secondary phase, such as Ni$_3$Al-based $L1_2$ $\gamma^\prime$, is crucially important for precipitation strengthening of superalloys. Composition-structure-property relations provide useful insights for guided alloy design. Here we use density f

Externí odkaz: http://arxiv.org/abs/2304.06869

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Energy landscape in NiCoCr-based middle-entropy alloys

Autor: Zarkevich, Nikolai A., Smith, Timothy M., Lawson, John W.

NiCoCr middle-entropy alloy is known for its exceptional strength at both low and elevated operating temperatures. Mechanical properties of NiCoCr-based alloys are affected by certain features of the energy landscape, such as the energy difference be

Externí odkaz: http://arxiv.org/abs/2304.06852

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