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Code Manual for CONTAIN 2.0 - Federation of American Scientists

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10.<br />

11.<br />

the melting range <strong>of</strong> the metal phase relative to the range predicted by the code. Through<br />

input, the user can modi~ the phase diagram <strong>for</strong> the metal phase by specif@g a constant<br />

solidus temperature. The liquidus temperature is then assumed to be 10 K greater than the<br />

specified solidus.<br />

Under certain conditions, the interlayer mixing model can produce numerical instabilities,<br />

where debris layers <strong>for</strong>m and disappear on alternating time steps. The source <strong>of</strong> this problem<br />

is known. Briefly, it is related to the arbitrary selection <strong>of</strong> a timestep as the duration it takes<br />

layers to mix when denser layers above less dense layers are detected. This problem is being<br />

addressed and will be corrected in future versions. In the meantime, the homogeneous layer<br />

option can be used when this is observed. Also, smaller timesteps may cause the oscillations<br />

to disappear. This limitation is not discussed in Reference Bra93.<br />

The non-ideal chemistry model is presently not operational <strong>for</strong> the oxide phase. Thus the user<br />

should only use the default ideal option or the option to treat only the metal layer as non-ideal.<br />

This limitation is not discussed in Reference Bra93.<br />

It is also worth noting that a number <strong>of</strong> sensitivity parameters are available through input to allow<br />

the user to readily explore the extent <strong>of</strong> importance <strong>of</strong> some <strong>of</strong> the approximations noted above.<br />

These sensitivity parameters are listed and briefly discussed in Section 14.3.2.3.2 under the<br />

description <strong>of</strong> the optional keywords in the USERSENS input block<br />

R O 535 6/30/97

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