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The straight chord misses the curved double-well minimum-energy path
Example
Let , , and . Put , , and on . The endpoints of the circular MEP are and . Their straight chord is the vertical segment for . The chord lies inside the annular sector, but it is not a MEP.
Facts & Assumptions
Given: The sector chart and potential above, with .
Regular minimum-energy paths on a declared collision-free tube: a regular path is a MEP only if its gradient component normal to the path tangent vanishes at every point.
Finite-budget improved-tangent NEB with a climbing image: the NEB tangent is constructed from adjacent image differences; an energy-selected tangent does not change the continuous MEP equation.
The chain rule for total derivatives: : the chart-coordinate derivative in the direction equals the ambient gradient paired with .
Proof
Given: The chord and potential in the Example.
Along , the first coordinate is , and , so the polar angle lies in . Its radius is between and . Thus the whole chord is in the declared sector.
The chord's tangent is . At its midpoint with . In the chart and , where and . The coordinate derivatives of there are and , so by [F3] .
Since is perpendicular to the chord tangent , step 1.2 gives a nonzero normal component of the gradient at the chord midpoint. This violates the MEP condition in [F1], proving the chord is not the circular MEP. The improved tangent rule in [F2] only changes the discrete force direction; it does not make this straight segment satisfy the continuous normal-gradient equation.
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Dependency tree · two levels
9 results within two dependency steps of this one, each drawn at its shortest distance from it. An arrow runs from a result to what uses it, so the chart reads left to right and ends at this result, which carries a heavier outline. Every node is a link to that result. Click elsewhere on the chart to enlarge it.
Sources
- Weinan E, Weiqing Ren, and Eric Vanden-Eijnden, String method for the study of rare events (standard reference, not scraped)
- Graeme Henkelman and Hannes Jónsson, Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points (standard reference, not scraped)