Solvent-driven morphology control of plutonium oxalate predicted by molecular dynamics simulation

Key Points

• The aim is to predict how different solvents influence the crystal morphology of plutonium oxalate.
• Molecular dynamics simulation to model crystal behavior
• Systematic analysis of solvent types
• Investigation of crystal plane growth mechanisms
• Predicted changes in crystal morphology based on solvent type
• Identified specific mechanisms by which solvents influence growth
• Demonstrated the potential for controlled morphology through solvent selection