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The molecular crystal cyclotetramethylene‐tetranitramine (β‐HMX) is the active ingredient in some broadly used plastic bonded explosives. Plasticity is thought to be essential for reaction initiation and detonation. In this work we use molecular simulations to investigate the conditions under which dislocations nucleate homogeneously in β‐HMX. We evaluate the resolved shear stress leading to homogeneous...
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