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Your manuscript has been reviewed by individuals knowledgeable in this field and is being rejected in its current form. Although the reviewers were interested in the paper, questions were raised that indicate substantial revision is needed. These comments are summarized in the reviewers' comments below.
Please resubmit your paper only after you have revised along the lines recommended by the Editor/Referees. When revising your paper please consider these comments.
Your resubmission is due within 90 days. Resubmission of this paper will be treated as a new submission: the paper will receive a new MS ID number and will potentially go to a new set of referees.  
In the interest of rapid handling, you must also submit a brief summary or itemized list indicating how you have revised your paper from its original form.   
If the reviewer comments indicate help with English language and quality is needed, we strongly advise you to consult a professional language editing service. For more information please see our Language Polishing page at http://www.elsevier.com/languagepolishing.
PLEASE NOTE: Computational Materials Science would like to enrich online articles by displaying interactive figures that help the reader to visualize and explore your research results. For this purpose, we would like to invite you to upload figures in the MATLAB .FIG file format as supplementary material to our online submission system. Elsevier will generate interactive figures from these files and include them with the online article on SciVerseScienceDirect. If you wish, you can submit .FIG files along with your revised submission.
Please note that this journal offers a new, free service called AudioSlides: brief, webcast-style presentations that are shown next to published articles on ScienceDirect (see also http://www.elsevier.com/audioslides). If your paper is accepted for publication, you will automatically receive an invitation to create an AudioSlides presentation.
Please note that we allow 60 days for author revisions.
µÚ¶þ´ÎÖØÐÂͶ¸åºó£¨Ã»ÓÐɾ³ýÔ­À´µÄ£©£º
You have already submitted this paper to our journal and the editor has also made a decision for the same. Revised manuscript cannot be submitted as a new submission. COMMAT-D-14-00366 is currently in "Submissions Needing Revisions" folder in your login. You could submit your revision from that folder.
Please ensure to remove this duplicate submission from your login.
Please log onto Elsevier Editorial System as an Author:
http://ees.elsevier.com/commat/
1. Go to the menu item "Submissions/Revisions Sent Back to Author".
2. Click "Edit Submission/Revision".
3. Click on the relevant submission step on the left-hand menu;
4. Provide or modify the item/information as requested.
5. Go to "Attach Files" and "Build PDF for my Approval".
6. View and Approve your new PDF file including the changed item(s), or if needed, Edit again.
Thank you for submitting your work to the journal, and if you have any questions, please don't hesitate to contact me.
PLEASE NOTE: Computational Materials Science would like to enrich online articles by displaying interactive figures that help the reader to visualize and explore your research results. For this purpose, we would like to invite you to upload figures in the MATLAB .FIG file format as supplementary material to our online submission system. Elsevier will generate interactive figures from these files and include them with the online article on SciVerseScienceDirect. If you wish, you can submit .FIG files along with your revised submission.

Yours sincerely,
Computational Materials Science

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