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publications.tex
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%!TEX root = cv.tex
% TODO: Try to use bibliographic files here. Some WIP in min/minimal.tex
% TODO: Have some kind of highlighted flagging system where a short list could be generated with only key highlighted references.
\ifthenelse{\boolean{ENUMERATE_PUBLICATIONS}}
{\begin{etaremune}}
{\begin{itemize*}}
% Formatting:
%\item <Authors>
% <Title>
% \textbf{<Publication>}
% \href{<Full Link>}{doi: <Short Link>}
%%%%%%%%%%%% Submitted (no citation information) %%%%%%%%%%%%
% MaterialsMap - Hui
\item H. Sun, B. Pan, Z. Yang, A. Krajewski, \textbf{B. Bocklund}, S.-L. Shang, J. Li, A.M. Beese, Z.-K. Liu,
MaterialsMap:A CALPHAD-Based Tool to Design Composition Pathways through feasibility map for Desired Dissimilar Materials, demonstrated with RSW Joining of Ag-Al-Cu,
\emph{Submitted}.
% Path planning - Nick
\item N. Ury, \textbf{B. Bocklund}, A. Perron, K. Bertsch,
Automated Path Planning for Functionally Graded Materials Considering Phase Stability and Solidification Behavior,
\emph{Submitted}.
%%%%%%%%%%%% 2024
% Property modeling framework
\item \textbf{B. Bocklund}, A. Perron, J.T. McKeown, K. Bertsch,
Implementation of an Extensible Property Modeling Framework in ESPEI with Applications to Molar Volume and Elastic Stiffness Models,
\textbf{Calphad} \emph{Accepted}.
% ML RHEA surrogate - Shusen
\item S. Liu, \textbf{B. Bocklund}, J. Diffenderfer, S. Chaganti, B. Kailkhura, S. McCall, B. Gallagher, A. Perron, J.T. McKeown,
A Comparative Study of Predicting High Entropy Alloy Phase Fractions with Traditional Machine Learning and Deep Neural Networks,
\textbf{npj Computational Materials} \emph{Accepted}.
% Jansson derivatives
\item C. Kunselman, \textbf{B. Bocklund}, A. van de Walle, R. Otis, R. Arroyave,
Analytically Differentiable Metrics for Phase Stability,
\textbf{Calphad} \emph{Accepted}.
% Nb-Ni assessment with ESPEI
\item B. Tonyali, H. Sun, \textbf{B. Bocklund}, J.P. Borgonia, R.A. Otis, S.-L. Shang, Z.-K. Liu, A.M. Beese,
Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations,
\textbf{Journal of Alloys and Compounds} 985 (2024) 174011.
\href{https://doi.org/10.1016/j.jallcom.2024.174011}{doi: 10.1016/j.jallcom.2024.174011}.
% Strong RHEAs, some with Laves phases
\item J. Shittu, C.J. Rietema, M. Juhasz, B. Ellyson, K.L.M. Elder, \textbf{B. Bocklund}, Z.C. Sims, T.T. Li, H.B. Henderson, J. Berry, A. Samanta, T. Voisin, A.A. Baker, S.K. McCall, A.P. Perron, J.T. McKeown,
Microstructural, phase, and thermophysical stability of CrMoNbV refractory multi-principal element alloys,
\textbf{Journal of Alloys and Compounds} 997 (2024) 173349.
\href{https://doi.org/10.1016/j.jallcom.2023.173349}{doi: 10.1016/j.jallcom.2023.173349}.
%%%%%%%%%%%% 2023
% Nb-Ni assessment with ESPEI
\item H. Sun, S.L-. Shang, R. Gong, \textbf{B. Bocklund}, A.M. Beese, Z.-K. Liu,
Thermodynamic modeling of the Nb-Ni system with uncertainty quantification using PyCalphad and ESPEI,
\textbf{Calphad} 82 (2023) 102563.
\href{https://doi.org/10.1016/j.calphad.2023.102563}{doi: 10.1016/j.calphad.2023.102563}.
% MQMQA Implementation and Assessment
\item J. Paz Soldan Palma, R. Gong, \textbf{B. Bocklund}, R. Otis, M. Poschmann, M. Piro, S. Shahbazi, T.G. Levitskaia, S. Hu, N.D. Smith, Y. Wang, H. Kim, Z.-K. Liu, S.-L. Shang,
Thermodynamic modeling with uncertainty quantification using the modified quasichemical model in quadruplet approximation: Implementation into PyCalphad and ESPEI,
\textbf{Calphad} 83 (2023) 102618.
\href{https://doi.org/10.1016/j.calphad.2023.102618}{doi: 10.1016/j.calphad.2023.102618}.
% Elder RHEA Analysis Pt 2
\item K.L.M. Elder, J. Berry, \textbf{B. Bocklund}, J. Shittu, C.J. Rietema, H.B. Henderson, S.K. McCall, A. Perron, J.T. McKeown,
Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part II: comprehensive ternary design and validation,
\textbf{npj Computational Materials} 9 (2023) 88.
\href{https://doi.org/10.1038/s41524-023-01031-6}{doi: 10.1038/s41524-023-01031-6}.
% Elder RHEA Analysis Pt 1
\item \label{paper-award} K.L.M. Elder, J. Berry, \textbf{B. Bocklund}, S.K. McCall, A. Perron, J.T. McKeown,
Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part I: design principles and rapid down-selection,
\textbf{npj Computational Materials} 9 (2023) 84.
\href{https://doi.org/10.1038/s41524-023-01030-7}{doi: 10.1038/s41524-023-01030-7}.
%%%%%%%%%%%% 2022
% Ostrowska HEA assessment with ESPEI
\item M. Ostrowska, P. Riani, \textbf{B. Bocklund}, Z.-K. Liu, G. Cacciamani,
Thermodynamic modeling of the Al-Co-Cr-Fe-Ni high entropy alloys supported by key experiments,
\textbf{Journal of Alloys and Compounds} 897 (2022) 162722.
\href{https://doi.org/10.1016/j.jallcom.2021.162722}{doi: 10.1016/j.jallcom.2021.162722}.
% Nd-Bi assessment
\item I. Sanghyeok, S.-L. Shang, N.D. Smith, A.M. Krajewski, T. Lichtenstein, S. Hui, \textbf{B. Bocklund}, Z.-K. Liu, H. Kim,
Thermodynamic properties of the Nd-Bi system via emf measurements, DFT calculations, machine learning, and CALPHAD modeling,
\textbf{Acta Materialia} 223 (2022) 117448.
\href{https://doi.org/10.1016/j.actamat.2021.117448}{doi: 10.1016/j.actamat.2021.117448}.
% Ti to SS FGM
\item L.D. Bobbio, \textbf{B. Bocklund}, E. Simsek, R.T. Ott, M.J. Kramer, Z.-K. Liu, A.M. Beese,
Design of an additively manufactured functionally graded material of 316 stainless steel and Ti-6Al-4V with Ni-20Cr, Cr, and V intermediate compositions,
\textbf{Additive Manufacturing} 51 (2022) 102649.
\href{https://doi.org/10.1016/j.addma.2022.102649}{doi: 10.1016/j.addma.2022.102649}.
%%%%%%%%%%%% 2021
% DFTTK
\item Y. Wang, M. Liao, \textbf{B.J. Bocklund}, P. Gao, S.-L. Shang, H. King, A.M. Beese, L.-Q. Chen, Z.-K. Liu
DFTTK: Density Functional Theory Tool Kit for High-throughput Calculations of Thermodynamic Properties at Finite Temperatures,
\textbf{Calphad} 75 (2021) 102355
\href{https://doi.org/10.1016/j.calphad.2021.102355}{doi: 10.1016/j.calphad.2021.102355}
% BMGs
\item C. Wang, S.-L. Shang, J. You, \textbf{B. Bocklund}, Y. Wang, H.-Y. Wang, Z.-K. Liu,
Understanding the effect of oxygen on the glass-forming ability of Zr43Cu43Al7Be7 bulk metallic glass by ab initio molecular dynamics simulations,
\textbf{Metallurgical and Materials Transactions A} 52 (2021) 2501–2511.
\href{https://doi.org/10.1007/s11661-021-06242-4}{doi: 10.1007/s11661-021-06242-4}.
% Ni-20Cr/SS304L FGM
\item L.D. Bobbio, \textbf{B. Bocklund}, Z.-K. Liu, A.M. Beese,
Tensile behavior of stainless steel 304L to Ni-20Cr functionally graded material: experimental characterization and computational simulations,
\textbf{Materialia} (2021) 101151.
\href{https://doi.org/10.1016/j.mtla.2021.101151}{doi: 10.1016/j.mtla.2021.101151}.
% Suboxide MBE
\item P. Vogt, F.V.E. Hensling, K. Azizie, C.S. Chang, D. Turner, J. Park, J.P. McCandless, H. Paik, \textbf{B. Bocklund}, G. Hoffman, O. Bierwagen, D. Jena, H.G. Xing, S. Mou, D.A. Muller, S.-L. Shang, Z.-K. Liu, D.G. Schlom,
Adsorption-Controlled Growth of Ga2O3 by Suboxide Molecular-Beam Epitaxy,
\textit{Featured} \textbf{APL Materials} 9(3) 031101.
\href{https://doi.org/10.1063/5.0035469}{doi: 10.1063/5.0035469}.
%%%%%%%%%%%% 2020 %%%%%%%%%%%%
% Cr-Ni sensitivity
\item R. Otis, \textbf{B. Bocklund}, Z.-K. Liu,
Sensitivity estimation for calculated phase equilibria,
\textbf{Journal of Materials Research} (2020) 1–11.
\href{https://doi.org/10.1557/jmr.2020.269}{doi: 10.1557/jmr.2020.269}.
% Kate Binary oxide MBE
\item K.M. Adkison, S.-L. Shang, \textbf{B. Bocklund}, D. Klimm, D.G. Schlom, Z.-K. Liu,
Suitability of binary oxides for molecular-beam epitaxy source materials: A comprehensive thermodynamic analysis,
\textit{Featured} \textbf{APL Materials} 8 (2020) 081110.
\href{https://doi.org/10.1063/5.0013159}{doi: 10.1063/5.0013159}.
% Setareh automatic weighting
\item S. Zomorodpoosh, \textbf{B. Bocklund}, A. Obaied, R.A. Otis, Z.-K. Liu, I. Roslyakova,
Statistical approach for automated weighting of datasets: Application to heat capacity data,
\textbf{CALPHAD} 71 (2020) 101994.
\href{https://doi.org/10.1016/j.calphad.2020.101994}{doi: 10.1016/j.calphad.2020.101994}.
% Scheil FGMs
\item \textbf{B. Bocklund}, L.D. Bobbio, R.A. Otis, A.M. Beese, Z.-K. Liu,
Experimental validation of Scheil-Gulliver simulations for the gradient path planning in additive manufactured functionally graded materials,
\textbf{Materialia} 11 (2020) 100689.
\href{https://doi.org/10.1016/j.mtla.2020.100689}{doi: 10.1016/j.mtla.2020.100689}.
% Abdulmonem pure Cr reassessment
\item A. Obaied, \textbf{B. Bocklund}, S. Zomorodpoosh, L. Zhang, R. Otis, Z.-K. Liu, I. Roslyakova,
Thermodynamic re-assessment of pure chromium using modified segmented regression model,
\textbf{CALPHAD} 69 (2020) 101762.
\href{https://doi.org/10.1016/j.calphad.2020.101762}{doi: 10.1016/j.calphad.2020.101762}.
% FGMs: Sigma in SS304L compared to SS420
\item L.D. Bobbio, \textbf{B. Bocklund}, A. Reichardt, R.A. Otis, J.P. Borgonia, R.P. Dillon, A.A. Shapiro, B.W. McEnerney, P. Hosemann, Z.-K. Liu, A.M. Beese,
Analysis of formation and growth of the $ \sigma $ phase in additively manufactured functionally graded materials,
\textbf{Journal of Alloys and Compounds} 814 (2020) 151729.
\href{https://doi.org/10.1016/j.jallcom.2019.151729}{doi: 10.1016/j.jallcom.2019.151729}.
%%%%%%%%%%%% 2019 %%%%%%%%%%%%
% ESPEI
\item \textbf{B. Bocklund}, R.A. Otis, A. Egorov, A. Obaied, I. Roslyakova, Z.-K. Liu,
ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu-Mg,
\textbf{MRS Communications} 9(2) (2019) 618-627.
\href{https://doi.org/10.1557/mrc.2019.59}{doi: 10.1557/mrc.2019.59}.
% Noah phase diagram UQ
\item N.H. Paulson, \textbf{B. Bocklund}, R.A. Otis, Z.-K. Liu, S. Marius,
Quantified Uncertainty in Thermodynamic Modeling for Materials Design.
\textbf{Acta Materialia} 174 (2019) 9-15.
\href{https://doi.org/10.1016/j.actamat.2019.05.017}{doi: 10.1016/j.actamat.2019.05.017}.
%%%%%%%%%%%% 2018 %%%%%%%%%%%%
% Seebeck
\item Y. Wang, Y.-J. Hu, \textbf{B. Bocklund}, S.-L. Shang, B.-C. Zhou, Z.-K. Liu, L.-Q. Chen,
First-principles thermodynamic theory of Seebeck coefficients,
\textbf{Physical Review B} 98 (2018) 224101.
\href{https://doi.org/10.1103/PhysRevB.98.224101}{doi: 10.1103/PhysRevB.98.224101}.
% FGMs: Ti-6Al-4V to 304L
\item L.D. Bobbio, \textbf{B. Bocklund}, R.A. Otis, J.P. Borgonia, R.P. Dillon, A.A. Shapiro, B. McEnerney, Z.-K. Liu, A.M. Beese,
Characterization of a functionally graded material of Ti-6Al-4V to 304L stainless steel with an intermediate V section. \textbf{Journal of Alloys and Compounds} 742 (2018) 1031-1036.
\href{https://doi.org/10.1016/j.jallcom.2018.01.156}{doi: 10.1016/j.jallcom.2018.01.156}
% FGMs: V to Invar36
\item L.D. Bobbio, \textbf{B. Bocklund}, R.A. Otis, J.P. Borgonia, R.P. Dillon, A.A. Shapiro, B. McEnerney, Z.-K. Liu, A.M. Beese,
Experimental analysis and thermodynamic calculations of an additively manufactured functionally graded material of V to Invar 36,
\textbf{Journal of Materials Research} 33 (2018) 1642–1649.
\href{https://doi.org/10.1016/10.1557/jmr.2018.92}{doi: 10.1557/jmr.2018.92}.
%%%%%%%%%%%% 2017 %%%%%%%%%%%%
% atomate
\item K. Mathew, J.H. Montoya, A. Faghaninia, S. Dwarakanath, M. Aykol,
H. Tang, I. Chu, T. Smidt, \textbf{B. Bocklund}, M. Horton, J. Dagdelen, B. Wood, Z.-K. Liu, J. Neaton, S.P. Ong, K. Persson, A. Jain,
Atomate: A high-level interface to generate, execute,
and analyze computational materials science workflows. \textbf{Computational Materials Science} 139, 140–152 (2017).
\href{https://doi.org/10.1016/j.commatsci.2017.07.030}{doi: 10.1016/j.commatsci.2017.07.030}
\ifthenelse{\boolean{ENUMERATE_PUBLICATIONS}}
{\end{etaremune}}
{\end{itemize*}}