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GE's DFT Simulations Are Helping to Develop New Materials
The high anti-phase boundary energy is really a driving force for increasing the yield strength and preventing shear through these precipitants. GE used abonicio calculations, so DFT, to look at what happens when they substitute tantalum niobium or titanium in for some of the sites that are normally occupied by aluminum. The other consideration is we want to minimize the stacking fault energy within the matrix; this can be done via managing our cobalt and chromium content.