Molecular dynamics simulations of energetic particle bombardment of molecular solids.

More About This Textbook


Molecular dynamics (MD) simulations are performed to elucidate the physics surrounding secondary ion mass spectrometry (SIMS). During SIMS, an energetic projectile is bombarded against a surface, and material is lifted off the surface and analyzed. MD simulations provide a mesoscopic view of this process in order to gather a better understanding of the underlying physics. Significant work has already been performed to explore the effects of atomic and cluster projectiles, cluster sizes at low energies, and polymer chain length on the resulting ejection dynamics.;This thesis has three objectives. The first is to redefine the best conceptual model for understanding cluster bombardment. We propose a model which likens cluster projectiles to a single large particle moving through a solid. The energy decay of cluster projectiles during the bombardment process is shown to follow a friction equation at short times. In addition, the projectile motion, energy deposition, and reaction dynamics are compared between a cluster projectile and single large bead to examine the accuracy of this model.;Secondly, the optimal experimental parameters for maximizing ejection yield while reducing sample damage are investigated. The effect of incident angle and cluster projectile size is examined for multiple cluster types including a series of fullerenes, Au3, benzene, and naphthalene. The results are compared with experimental data to determine which parameters contribute to the greatest quality of data.;Lastly, the reaction dynamics of a dissociative water sample following C60 and Au3 bombardment is modeled. The sample is able to dissociate into OH-, H+, and O2- ions, which has a very high activation energy. Therefore, we use this sample as an indicator of where a broad range of reactions can occur for molecular sample.
Read More Show Less

Product Details

  • BN ID: 2940032605942
  • Publisher: ProQuest LLC
  • Sold by: Barnes & Noble
  • Format: eTextbook
  • Pages: 129

Customer Reviews

Be the first to write a review
( 0 )
Rating Distribution

5 Star


4 Star


3 Star


2 Star


1 Star


Your Rating:

Your Name: Create a Pen Name or

Barnes & Review Rules

Our reader reviews allow you to share your comments on titles you liked, or didn't, with others. By submitting an online review, you are representing to Barnes & that all information contained in your review is original and accurate in all respects, and that the submission of such content by you and the posting of such content by Barnes & does not and will not violate the rights of any third party. Please follow the rules below to help ensure that your review can be posted.

Reviews by Our Customers Under the Age of 13

We highly value and respect everyone's opinion concerning the titles we offer. However, we cannot allow persons under the age of 13 to have accounts at or to post customer reviews. Please see our Terms of Use for more details.

What to exclude from your review:

Please do not write about reviews, commentary, or information posted on the product page. If you see any errors in the information on the product page, please send us an email.

Reviews should not contain any of the following:

  • - HTML tags, profanity, obscenities, vulgarities, or comments that defame anyone
  • - Time-sensitive information such as tour dates, signings, lectures, etc.
  • - Single-word reviews. Other people will read your review to discover why you liked or didn't like the title. Be descriptive.
  • - Comments focusing on the author or that may ruin the ending for others
  • - Phone numbers, addresses, URLs
  • - Pricing and availability information or alternative ordering information
  • - Advertisements or commercial solicitation


  • - By submitting a review, you grant to Barnes & and its sublicensees the royalty-free, perpetual, irrevocable right and license to use the review in accordance with the Barnes & Terms of Use.
  • - Barnes & reserves the right not to post any review -- particularly those that do not follow the terms and conditions of these Rules. Barnes & also reserves the right to remove any review at any time without notice.
  • - See Terms of Use for other conditions and disclaimers.
Search for Products You'd Like to Recommend

Recommend other products that relate to your review. Just search for them below and share!

Create a Pen Name

Your Pen Name is your unique identity on It will appear on the reviews you write and other website activities. Your Pen Name cannot be edited, changed or deleted once submitted.

Your Pen Name can be any combination of alphanumeric characters (plus - and _), and must be at least two characters long.

Continue Anonymously

    If you find inappropriate content, please report it to Barnes & Noble
    Why is this product inappropriate?
    Comments (optional)