Linking Order to Strength in Metals
arxiv(2024)
摘要
The metallurgy and materials communities have long known and exploited
fundamental links between chemical and structural ordering in metallic solids
and their mechanical properties. The highest reported strength achievable
through the combination of multiple metals (alloying) has rapidly climbed and
given rise to new classifications of materials with extraordinary properties.
Metallic glasses and high-entropy alloys are two limiting examples of how
tailored order can be used to manipulate mechanical behavior. Here, we show
that the complex electronic-structure mechanisms governing the peak strength of
alloys and pure metals can be reduced to a few physically-meaningful parameters
based on their atomic arrangements and used (with no fitting parameters) to
predict the maximum strength of any metallic solid, regardless of degree of
structural or chemical ordering. Predictions of maximum strength based on the
activation energy for a stress-driven phase transition to an amorphous state is
shown to accurately describe the breakdown in Hall-Petch behavior at the
smallest crystallite sizes for pure metals, intermetallic compounds, metallic
glasses, and high-entropy alloys. This activation energy is also shown to be
directly proportional to interstitial (electronic) charge density, which is a
good predictor of ductility, stiffness (moduli), and phase stability in
high-entropy alloys, and in solid metals generally. The proposed framework
suggests the possibility of coupling ordering and intrinsic strength to
mechanisms like dislocation nucleation, hydrogen embrittlement, and transport
properties. It additionally opens the prospect for greatly accelerated
structural materials design and development to address materials challenges
limiting more sustainable and efficient use of energy.
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