Mapping surface mechanical properties with

Mapping of surface mechanical properties with a submicron resolution became a reality after the introduction of scanning force microscopy (SFM) technique. However, the quantitative characterization of the micromechanical properties is still a challenge for... 

Thermodynamic properties such as heats of reaction and heats of formation can be computed mote rehably by ab initio theory than by semiempirical MO methods (55). However, the Hterature of the method appropriate to the study should be carefully checked before a technique is selected. Finally, the role of computer graphics in evaluating quantum mechanical properties should not be overlooked. As seen in Figures 2—6, significant information can be conveyed with stick models or various surfaces with charge properties mapped onto them. Additionally, information about orbitals, such as the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), which ate important sites of reactivity in electrophilic and nucleophilic reactions, can be plotted readily. Figure 7 shows representations of the HOMO and LUMO, respectively, for the antiulcer dmg Zantac. 

This combination of single asperity wear testing, surface deformation mapping of the resultant deformation field, and the subsequent indentation test measurements of the changes in mechanical properties due to the wear process will provide detailed and significant information of the interrelationships between wear, structure, and property evolutions. These observations may also help discern the fundamental deformation mechanisms that result in wear particle formation and how different UHMWPE starting materials evolve with wear deformation. 

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