In this article, the shape transferability of using nanoscale multi-tip diamond tools in the diamond turning for scale-up manufacturing of nanostructures has been demonstrated. Atomistic multi-tip diamond tool models were built with different tool geometries in terms of the difference in the tip cross-sectional shape, tip angle, and the feature of tool tip configuration, to determine their effect on the applied forces and the machined nano-groove geometries. The quality of machined nanostructures was characterized by the thickness of the deformed layers and the dimensional accuracy achieved. Simulation results show that diamond turning using nanoscale multi-tip tools offers tremendous shape transferability in machining nanostructures. Both periodic and non-periodic nano-grooves with different cross-sectional shapes can be successfully fabricated using the multi-tip tools. A hypothesis of minimum designed ratio of tool tip distance to tip base width (L/W-f) of the nanoscale multi-tip diamond tool for the high precision machining of nanostructures was proposed based on the analytical study of the quality of the nanostructures fabricated using different types of the multi-tip tools. Nanometric cutting trials using nanoscale multi-tip diamond tools (different in L/W-f) fabricated by focused ion beam (FIB) were then conducted to verify the hypothesis. The investigations done in this work imply the potential of using the nanoscale multi-tip diamond tool for the deterministic fabrication of period and non-periodic nanostructures, which open sup the feasibility of using the process as a versatile manufacturing technique in nanotechnology. Crown Copyright (C) 2014 Published by Elsevier B.V. All rights reserved.