Ursula R. Kattner

Current Research Interests

Computational thermodynamics
Alloy phase diagram evaluations
Metal-hydrogen systems
Solder alloy systems
Superalloy systems

Publications

XTDB, an XML based format for Calphad databases

April 15, 2025

Author(s)

Bo Sundman, Fabio Miani, Axel van de Walle, Bengt Hallstedt, Ursula Kattner, Florian Tang, Taichi Abe, Reza Naraghi, Erwin Povoden-Karadeniz, Aurelie Jacob, Shuanglin Chen, Richard Otis, Kazuhisa Shobu, Malin Selleby, Alexander Pisch

The Calphad method uses models which depend on assessed parameters to describe the thermodynamic properties of materials. These model parameters are assessed by

Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System

December 30, 2023

Author(s)

Júlio Cesar Pereira Dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova, Thomas Hammerschmidt, Suzana Fries, Chris Wolverton, Carelyn E. Campbell

Proper descriptions of Topologically Closed-Packed (TCP) phases in thermodynamic databases are essential to adequately design new alloys. Thus, the recently

Co-Based Superalloy Morphology Evolution: A Phase Field Study Based on Experimental Thermodynamic and Kinetic Data

July 1, 2022

Author(s)

Carelyn E. Campbell, Ursula R. Kattner, Jonathan E. Guyer, James A. Warren, Wenkun Wu, Peter Voorhees, Olle Heinonen

Cobalt-based superalloys with gamma/gamma prime microstructures off er great promise as candidates for next-generation high-temperature alloys for applications

Bayesian automated weighting of aggregated DFT, MD, and experimental data for candidate thermodynamic models of aluminum with uncertainty quantification

December 1, 2021

Author(s)

Francesca Tavazza, Chandler A. Becker, Ursula R. Kattner, Joshua Gabriel, Noah Palson, Thien Duong, Marius Stan

Atomic-scale modeling methods such as density functional theory (DFT) and molecular dynamics (MD) can predict the thermodynamic properties of materials at a

Design Strategy for Additive Manufacturing Ti-Al-Fe alloys with Calculation of Phase Diagram Method

November 1, 2021

Author(s)

Zhi Liang, Ursula R. Kattner, Carelyn E. Campbell

Calculation of Phase Diagram (CALPHAD) method was used to develop an additive manufacturing (AM) titanium alloy design strategy for new alloys in the Ti-Al-Fe

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Patents (2018-Present)

Graphic with multiple blocks showing a knowledge management system

Knowledge Management System and Process for Managing Knowledge

NIST Inventors

John T. Elliott , Talapady N. Bhat , Ursula R. Kattner , Carelyn E. Campbell , Ram D. Sriram , Eswaran Subrahmanian and Jacob Collard

A knowledge management system includes: a default knowledge system including: a knowledge system and a knowledge database in communication with the knowledge system; and a knowledge store in communication with the default knowledge system and including: a taxonomy amendment, an annotation amendment

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Ursula R. Kattner (Fed)

Current Research Interests

Publications

Patents (2018-Present)