Imaging defects at atomic resolution via state-of-the-art atomic force microscopy and petascale simulations

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Atomic force microscopy (AFM) promises to deliver resolution of individual atoms on surfaces and therefore, in principle, is capable of observing surface defects. However, the image obtained is a convolution of many complex interactions. Thus the key questions are what is being actually observed when we see something with “atomic resolution” in AFM and can point defects be really detected? The aim of this proposal is to combine state-of-the-art experimental AFM techniques with computer simulations that are capable of generating AFM images to answer these questions. Our ability to harness the potential of AFM for many applications in areas such as nanoscience and crystal engineering hinges on being able to correctly interpret AFM images.