INDIMEDEA Equipment

  AGILENT SUPERNOVA single-crystal diffractometer

Funded by ERC Grant 307322 (Dipartimento di Geoscienze, University of Padova, Italy)

The INDIMEDEA project acquired a totally new instrumentation for single-crystal X-ray diffraction. In detail, the instrument is composed by two main parts: the first is represented by the X-ray source and the goniometer which is the same as a SUPERNOVA (Agilent) but designed for high pressure measurements; the second is represented by the PILATUS 200 K detector. This special assemblage was specifically designed for the INDIMEDEA project and is the first one in the world. The instrument will allow to obtain extremely high quality crystal structure data measured under high pressure conditions and on mineral inclusions still trapped in their diamond hosts. At the same time it will be possible to obtain structural data on extremely small crystals down to 0.015-0.020 mm, which so far was possible only using synchrotron radiation.

AGILENT SUPERNOVA single-crystal diffractometer

PILATUS 200 K detector


  LINUX Cluster AETHIA

Funded by ERC Grant 307322 (Dipartimento di Geoscienze, University of Padova, Italy)

The supercomputer is a LINUX Cluster developed for High Performance Computing (HPC). The cluster is composed by six Server HPC TWIN SQUARE 16x4 CORE XEON (i.e. six computing nodes with 64 cores and one front-end with 16 cores, that is 400 cores; Processors Intel Xeon 8-Core E5-2650 2.0Ghz 20MB). It has been assembled by AETHIA s.r.l. power computing solutions (aethia.com).

The cluster is devoted to the study of crystalline materials. The commercial CRYSTAL09 program was installed (www.crystal.unito.it), which is a general-purpose program for the study of crystalline solids. It computes the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. The Bloch functions of the periodic systems are expanded as linear combinations of atom centred Gaussian functions.
The cluster was designed for performing ab initio quantum-mechanical calculations on very large systems (300-400 atoms). In particular, the cluster is devoted to (i) the study of the main surfaces of the minerals included in the diamonds (i.e., olivine, garnet), and (ii) the study of the diamond/mineral interfaces (i.e., diamond/olivine, diamond/garnet). The equilibrium structure and the energy of the surfaces/interfaces will be determined.

LINUX Cluster AETHIA


  STOE STADI IV 4-circle single-crystal diffractometer

Pre-existing instrument (Dipartimento di Geoscienze, University of Padova, Italy)

Equipped with Mo source and point detector, operating with the SINGLE software (Angel and Finger, 2011) to perform high-accuracy and high-precision unit-cell parameter determination of samples at room conditions and under high-pressure conditions.

STOE STADI IV 4-circle single-crystal diffractometer (point detector)


  STOE STADI IV 4-circle single-crystal diffractometer

Pre-existing instrument (Dipartimento di Geoscienze, University of Padova, Italy)

Equipped with Mo source and CCD area detector (Oxford Diffraction) suitable for identification and structure determination of samples at room conditions and under high-pressure conditions.

STOE STADI IV 4-circle single-crystal diffractometer (CCD detector)


  HUBER 4-circle single-crystal diffractometer

Pre-existing instrument (Dipartimento di Scienze della Terra e dell'Ambiente, University of Pavia, Italy)

Equipped with Mo source and point detector, and a removable high-temperature device, operating with the SINGLE software (Angel and Finger, 2011) to perform high-accuracy and high-precision unit-cell parameter determination under high-temperature conditions.

HUBER 4-circle single-crystal diffractometer (point detector)


  Diamond anvil cells

Pre-existing devices (Dipartimento di Geoscienze, University of Padova, Italy)

Three diamond anvil cells (DAC, ETH type) are available to perform in-situ high-pressure measurements to reproduce in the laboratory the high-pressure conditions of the Earth’s mantle.

Diamond anvil cells