Molecular dynamics simulations are carried out to study the incipient dislocation plasticity in Ni 3 Al. Dislocation nucleation is found to occur preferentially at energetic atomic clusters with larger-thanaverage relative displacements. From the simulated distribution of the atomic relative displacements, a scaling model is proposed to predict the size dependence of the incipient plasticity condition in real-sized specimens. DOI: 10.1103/PhysRevLett.94.095501 PACS numbers: 61.72.Cc, 62.20.Fe The rapid development of technologies involving microand nanomachinery calls for an urgent need to understand material behaviors at the submicron length scale. There is now rather convincing evidence showing that crystalline materials in general exhibit much higher strengths than their bulk counterparts [1,2]. In certain modes of deformation such as torsion, strain gradients are present which lead to a size-dependent hardening effect due to geometrically necessary dislocations [1]. The high strengths of small, annealed specimens, on the other hand, have been observed in early tensile experiments on annealed whisker crystals [3]. This phenomenon is attributed to the scarcity of source dislocations in very small samples, and so dislocations have to be generated from the perfect crystal environment at high stresses. Recently, Uchic et al.[2] compressed micropillars of Ni and Ni 3 Al fabricated by the focusedion-beam method and observed a marked increase of yield strength as the specimen size decreases. Incipient plasticity is also easily observable in nanoindentation on annealed, bulk crystalline materials as a load drop or displacement jump [4], and recent experiments show that the statistical distributions of the strain-burst loads in SiC [5] and Ni 3 Al [6] obey characteristics of homogeneous nucleation at room temperature. Nanoindentation experiments on annealed Fe-3%Si [4], Ni 3 Al [6,7], and Al [8] have also shown that, even if the applied stress is initially in the elastic range, yielding may occur rather suddenly after a certain waiting time, implying that these materials cannot indefinitely sustain GPa-level stresses in the elastic range [9].In this Letter, we report a theoretical study on the nucleation of defects in a highly stressed crystal at finite temperatures using molecular dynamics simulation. Homogeneous nucleation of dislocations has been studied by Li and co-workers [10,11] as a form of an unstable phonon process under a high applied stress. In the present work, we focus on temperature effects as well as the physical forms of the embryos of the nucleation process.Simulation model.-The model is set up to mimic the situation of applying homogeneous shear on a small material volume. The aim here is not to simulate directly the behavior of real, micron-sized specimens in real time, as such a task is still too big to be handled by today's computing power. Instead, the purpose of the simulation is to use a sufficiently large block to generate reliable statistical data, for the development of scaling relation...