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2 to 8 nm coated nanoparticle cores

8 nm diameter 4 nm diameter 2 nm diameter

decane implicit water decane implicit water decane implicit water

C10-

CH 3

C10-

COOH

C18-

CH 3

C18-

COOH

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2 to 8 nm coated nanoparticle cores 8 nm diameter 4 nm diameter 2 nm diameter decane implicit water decane implicit water decane implicit water C10- CH 3 C10- COOH C18- CH 3 C18- COOH

Geometry as a control parameter l r • Particle size, r • Chain length, l • Change in free volume per chain l

Page 1 and 2: Coated nanoparticles in solvents an
Page 3 and 4: System details Amorphous silica par
Page 5 and 6: Interactions between nanoparticles
Page 7: Constructing model Au-thiol nanopar
Page 11 and 12: Effect of mixed-chain termination C
Page 13 and 14: Surface initial conditions • NPs
Page 15 and 16: Future direction: Surface interacti
Page 17: Collaborators • Sandia: Gary Gres

Modeling nanoparticles in bulk and at surfaces - Lammps - Sandia ...

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