Crystal structure & heterostructures
Structural characterization of semiconductors, oxides, epitaxial layers and complex multilayer systems through real- and reciprocal-space X-ray methods.
ABOUT MROX / RESEARCH & DEVELOPMENT
The science behind the software.
MROX grew from real questions in materials research: how to recover structural information from complex X-ray measurements, model ion-implantation damage and connect experiment with physical theory.
This page introduces the researcher behind the software and the scientific projects currently in development.
Meet the authorPHYSICS × COMPUTATION
Matter · Scattering · Modelling
01 / THE AUTHOR
Researcher. Developer. Problem solver.
Sérgio Magalhães
Assistant Researcher
Department of Nuclear Sciences and Engineering (DECN)Instituto Superior Técnico · University of Lisbon
Institute for Plasmas and Nuclear Fusion (IPFN)Research affiliation
ORCID profile
Sérgio Magalhães is a researcher in materials characterization whose work combines ion-beam techniques, X-ray scattering and numerical simulation to investigate crystalline materials, thin films and multilayer structures.
His research addresses how implantation-induced defects, lattice strain, composition and crystalline disorder alter the structural response of materials. High-resolution X-ray diffraction, X-ray reflectivity and complementary ion-beam analysis provide experimental insight; physically grounded computational models help interpret the resulting data.
Scientific programming is a central part of this activity. He develops tools for simulation, fitting and data analysis, with particular emphasis on connecting experimental measurements to useful, interpretable physical parameters.
His work also spans collaborative materials research and the sharing of analytical methods with students and fellow researchers, bringing together experimental techniques, mathematical models and reproducible scientific workflows.
RESEARCH INTERESTS
X-ray diffraction (XRD)X-ray reflectivity (XRR)Ion implantation & defectsThin films & multilayersCrystalline strainIon-beam analysisScientific computing
02 / RESEARCH APPROACH
From measured signal to physical insight.
Research themes drawn from the academic CV, without time-dependent publication counts or citation metrics.
Ion implantation & radiation effects
Investigation of defect formation, damage accumulation and depth-dependent strain, using X-ray techniques together with ion-beam measurements.
Modelling & scientific methods
Development of specialised numerical tools for fitting diffraction and reflectivity measurements and interpreting structural parameters.
SCIENTIFIC SOFTWARE DEVELOPMENT
Tools shaped by experimental research
Beyond MROX, the CV documents work on RSM and LAPAs for crystallographic analysis, and RBScal, MSpectra and MAngScan for complementary measurement and data-analysis workflows.
MROXRSMLAPAsRBScalMSpectraMAngScan
03 / WORK IN PROGRESS
What we are building next.
Ongoing software and research activities. These descriptions are development objectives, not claims of fully released or experimentally validated features.
MROX Online
Bringing the scientific capabilities of MROX into the browser.
The current initiative explores the conversion of the existing scientific program into a web-accessible platform, retaining the underlying physics rather than replacing it with illustrative calculations. The priorities are numerical consistency, reproducibility, intuitive model construction and accessible analysis workflows.
The online scientific engine is under development and should not be confused with the interface preview on the homepage.
MROX Studio
An integrated scientific environment for X-ray diffraction, X-ray reflectivity and advanced crystallographic analysis. Its development encompasses complementary measurement geometries and simulation workflows.
DEVELOPMENT SCOPE
01 XRD 2θ–ω02 Rocking curves (RC)03 XRD reciprocal-space maps (RSM)04 X-ray reflectivity (XRR)05 XRR reciprocal-space maps06 Pole figures
The modules are part of an evolving project; maturity and validation may differ by mode.
HEAs Studio
Exploring high-entropy alloys through dedicated software and structural-analysis methods, with an emphasis on understanding complex materials relevant to demanding environments.
High-entropy alloysStructural characterizationComputational analysis
PolyXRD Studio
Developing polycrystalline X-ray diffraction analysis for the study of nitrogen-implanted tungsten. The research connects implantation-induced changes with diffraction-based structural interpretation.
Tungsten (W)Nitrogen implantationPolycrystalline XRD
A related scientific article is currently in preparation; no publication details are claimed here.
04 / SELECTED SCIENTIFIC WORK
Research underpinning MROX.
The development of MROX is closely linked to methodological research in dynamical X-ray diffraction, X-ray reflectivity and layered structures. Two representative software publications provide a starting point for readers.
Explore publications that use MROX