Apparatus for determining 3-dimensional atomic level structure and method thereof

A data generating method, comprising:

• an atomic model generating step of generating one or more three-dimensional atomic models corresponding to a nanomaterial to be measured;
• a three-dimensional data generating step of generating three-dimensional atomic level structure volume data corresponding to the nanomaterial to be measured based on the one or more three-dimensional atomic model;
• a tilt series generating step of generating a tilt series by simulating three-dimensional tomography for a plurality of different angles in a predetermined angle range for at least some of the three-dimensional atomic level structure volume data;
• and
• a three-dimensional atomic structure tomogram volume data generating step of generating a three-dimensional atomic structure tomogram volume data set by performing three-dimensional reconstruction on at least some of the three-dimensional atomic level structure volume data based on the tilt series.

An apparatus for determining a three-dimensional atomic level structure, comprising:

• an atomic model generator that generates one or more three-dimensional atomic models corresponding to a nanomaterial to be measured;
• a three-dimensional learning data generator that generates three-dimensional atomic structure tomogram volume data corresponding to the nanomaterial to be measured as three-dimensional learning data by simulating and reconstructing three-dimensional tomography based on the one or more three-dimensional atomic model;
• a deep learning filter generator/learner that generates a deep learning filter by training a machine learning model using the three-dimensional learning data;
• and
• a three-dimensional atomic level structure determiner that generates second three-dimensional atomic structure tomogram volume data, in which an atomic arrangement region with insufficient data is corrected, by filtering first three-dimensional atomic structure tomogram volume data acquired through electron microscopy measurement of the nanomaterial to be measured with the deep learning filter, and determines a three-dimensional atomic level nanostructure of the nanomaterial to be measured based on the second three-dimensional atomic structure tomogram volume data.

A method for determining a three-dimensional atomic level structure, the method comprising:

• an atomic model generating step of generating one or more three-dimensional atomic models corresponding to a nanomaterial to be measured;
• a three-dimensional learning data generating step of generating three-dimensional atomic level structure volume data corresponding to the nanomaterial to be measured as three-dimensional learning data by simulating and reconstructing three-dimensional tomography based on the one or more three-dimensional atomic model;
• a deep learning filter generating/learning step of generating a deep learning filter by training a machine learning model using the three-dimensional learning data;
• and
• a three-dimensional atomic level structure determining step of generating second three-dimensional atomic structure tomogram volume data, in which an atomic arrangement region with insufficient data is corrected, by filtering first three-dimensional atomic structure tomogram volume data acquired through electron microscopy measurement of the nanomaterial to be measured with the deep learning filter, and determining a three-dimensional atomic level nanostructure of the nanomaterial to be measured based on the second three-dimensional atomic structure tomogram volume data.