Five Ternary Metallic Systems for ThinFilm SSID Producing Nanoporous Tungsten: A DAVID-ε Computational Complement to the Chen-Wiegart Experimental Platform"

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Authors: PEDRO JAVIER MOLINA, FERNANDO GABRIEL GIMENO
Cited by: 0

Abstract

This technical memorandum presents five ternary metallic systems predicted by the DAVID-ε (Diversity-Anchored Vectorial Inference with Differential ε-scoring) computational framework as prime candidates for thin-film solid-state interfacial dealloying (SSID), producing nanoporous tungsten (np-W) or nanoporous molybdenum (np-Mo) as the functional residual phase. All predictions are grounded in experimental Miedema binary enthalpy data and CALPHAD-validated thermophysical parameters. The top-ranked system, W-Ti/Mg (score 0.6123), has a thermodynamic driving force 33% stronger than the Fe-Ni/Mg reference system experimentally validated by Chen-Wiegart et al. (2019). Three independent experimental confirmations from the literature support feasibility before any new experiment is required. The document includes: complete score decompositions with explicit numerical calculations, full Miedema enthalpy tables with experimental sources, predicted XRD signatures for phase identification, processing parameter estimates anchored to published thin-film SSID data, and seven falsifiable quantitative predictions testable at NSLS-II synchrotron beamlines. This work is intended as a computational complement to the experimental thin-film SSID platform developed at Stony Brook University / Brookhaven National Laboratory. The authors are seeking experimental collaborators with access to thin-film PVD deposition and synchrotron characterization infrastructure to validate these predictions. Contact: jamolina1970@gmail.com

Fields of Study & Subjects

Nanoporous metals and alloys Machine Learning in Materials Science Thermodynamic and Structural Properties of Metals and Alloys

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
4 March 2026
Language
EN