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【求助】MS中可否构建置换固溶体类的晶体结构？
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请问MS中可否构建置换固溶体类的晶体结构？ [ Last edited by SHY31 on 2008-12-24 at 09:03 ] |
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在ms帮助里搜索Mixture atoms,下面是帮助里的内容. Creating and editing mixture atoms Mixture atoms may be used to simulate the case where one atomic site is randomly occupied by two or more different types of atom. Materials Studio allows you to create mixtures of different elements, oxidation states and isotopes. To edit the selected atoms as mixture atoms Choose View | Explorers | Properties Explorer and select one or more atoms. Double-click on the IsMixtureAtom property to display the Edit Mixture Atom dialog. To edit a component of the mixture atom Highlight the appropriate component in the list and click on the Edit button to display the Edit Mixture Component dialog. To change the element type you may either type the element symbol directly into the box, select an element from the drop down list, or click the button to display the periodic table. To change the isotope, select the desired mass number from the list of known isotope in the drop down list. Natural refers to the element having an isotopic mixture in naturally occurring abundances. To change the composition, enter a value between 0.0 and 100.0 in the box. Note that the total composition of all components must add up to 100% and so it may be necessary to adjust the compositions of other components. Materials Studio will perform a scaling for you, but the results may be undesirable. To change the oxidation state, enter the value between -5 and +8 in the box, or use the spin control. To add a component to the mixture atom Click the Add button to display the Edit Mixture Component dialog and follow steps 2-5 above. To delete a component of the mixture atom Select the component to be deleted in the list, and then click the Delete button. Further information About disorder Edit Mixture Component dialog |
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5楼2008-12-24 08:29:26
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