The quasicontinuum method is used to simulate three-dimensional Lomer-Cottrell junctions both in the absence and in the presence of an applied stress. The simulations show that this type of junction is destroyed by an unzipping mechanism in which the dislocations that form the junction are gradually pulled apart along the junction segment. The calculated critical stress needed for breaking the junction is comparable to that predicted by line tension models. The simulations also demonstrate a strong influence of the initial dislocation line directions on the breaking mechanism, an effect that is neglected in the macroscopic treatment of the hardening effect of junctions.The mechanical properties of a wide range of materials can be traced in part to the motion and interaction of dislocations. Dislocation junctions serve as one class of obstacles to dislocation motion. From the standpoint of work hardening, junctions have been implicated as a primary contributor to the observed increase in the flow stress with increasing dislocation density [1]. They are one example of "dislocation chemistry" in which dislocations can join and dissociate to form new segments. Such reactions involve both atomic and elastic effects since in the core regions there are substantial atomic rearrangements, while at larger distances the dislocations still interact elastically.Until now, the vast majority of information concerning dislocation junctions has been obtained either from macroscopic hardening experiments [2] or models deriving from elasticity theory [3,4]. On the other hand, evidence has been mounting for decades that in certain circumstances dislocation core effects play a critical role in determining the actual behavior of materials [5], and recent calculations have shown that atomic level insights can be gained with respect to junctions as well [6]. The calculations undertaken here attempt to account for both the long range elastic interactions and the detailed atomic level geometries that give junctions their overall behavior. Though we have made a systematic study of a number of dislocation junctions found in fcc materials, we concentrate here only on the case of the Lomer-Cottrell junction. Our reason for limiting the discussion is the presumed importance of the Lomer-Cottrell junction in governing the hardening of fcc materials as deduced from experimental analyses [2].Our ambition in the pages that follow is to examine the atomic-level structure of the Lomer-Cottrell junction both in the absence and presence of an externally applied stress. The response of a junction to an applied stress is of prime importance since, in macroscopic descriptions of hardening [7], obstacles to dislocation motion such as junctions are represented by parameters derived from the stress needed to force the dislocations across the obstacles of interest.Although such an investigation demands an atomic level calculation, it is also evident that three-dimensional calculations of this sort require an enormous computational investment. As an alternat...