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Elastic Properties of Plasma-Exposed Tungsten Predicted by Molecular-Dynamics Simulations
Asanka Weerasinghe1, Brian D Wirth2,3, Dimitrios Maroudas1
1Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003, United States.
ACS Applied Materials & Interfaces
|April 17, 2020
Summary
Molecular dynamics simulations reveal how defects like voids and helium nanobubbles affect tungsten
Area of Science:
- Materials Science
- Nuclear Engineering
- Computational Physics
Background:
- Tungsten is crucial as a plasma-facing component (PFC) in fusion devices.
- Plasma exposure introduces defects like voids and helium nanobubbles into tungsten.
- Understanding these defects' impact on tungsten's elastic properties is vital for device longevity.
Purpose of the Study:
- To investigate the elastic properties of tungsten with structural defects, voids, and helium nanobubbles.
- To quantify the effects of plasma exposure on tungsten's mechanical behavior.
- To establish structure-property relationships for predictive modeling.
Main Methods:
- Systematic molecular-dynamics computations.
- Analysis of elastic moduli (bulk, Young, shear) under varying defect conditions.
- Characterization of void fraction and helium content effects.
Main Results:
- Empty voids induce tensile stress, while helium nanobubbles cause compressive stress.
- Elastic moduli exhibit universal exponential scaling with void fraction.
- Helium content significantly softens elastic moduli, independent of temperature effects.
- Helium bubble size strongly influences bulk modulus and Poisson ratio, with minor effects on Young's and shear moduli.
Conclusions:
- Plasma-induced defects substantially alter tungsten's elastic properties.
- Developed scaling relations provide predictive capabilities for tungsten's mechanical response.
- Findings support the creation of a structure-property database for fusion device components.
Keywords:
elastic propertieshelium implantationmolecular-dynamics simulationplasma-exposed tungstenplasma-facing materials
