Title: Fast method for reactor and feature scale coupling in ALD and CVD

Abstract

Transport and surface chemistry of certain deposition techniques is modeled. Methods provide a model of the transport inside nanostructures as a single-particle discrete Markov chain process. This approach decouples the complexity of the surface chemistry from the transport model, thus allowing its application under general surface chemistry conditions, including atomic layer deposition (ALD) and chemical vapor deposition (CVD). Methods provide for determination of determine statistical information of the trajectory of individual molecules, such as the average interaction time or the number of wall collisions for molecules entering the nanostructures as well as to track the relative contributions to thin-film growth of different independent reaction pathways at each point of the feature.

Inventors:

Yanguas-Gil, Angel; Elam, Jeffrey W.

Issue Date:

Tue Aug 08 00:00:00 EDT 2017

Research Org.:

Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:

USDOE

OSTI Identifier:

1374542

Patent Number(s):

9727672

Application Number:

14/633,025

Assignee:

UCHICAGO ARGONNE, LLC

Patent Classifications (CPCs):

G - PHYSICS G06 - COMPUTING G06F - ELECTRIC DIGITAL DATA PROCESSING

G - PHYSICS G16 - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS G16C - COMPUTATIONAL CHEMISTRY

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G - PHYSICS G06 - COMPUTING G06F - ELECTRIC DIGITAL DATA PROCESSING

G06F30/20 - Design optimisation, verification or simulation

G - PHYSICS G16 - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS G16C - COMPUTATIONAL CHEMISTRY

G16C10/00 - Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
G16C99/00 - Subject matter not provided for in other groups of this subclass

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DOE Contract Number:  

AC02-06CH11357

Resource Type:

Patent

Resource Relation:

Patent File Date: 2015 Feb 26

Country of Publication:

United States

Language:

English

Subject:

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE