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ALMA

ALL-SCALE PREDICTIVE DESIGN OF HEAT MANAGEMENT MATERIAL STRUCTURES WITH APPLICATIONS IN POWER ELECTRONICS

Total Cost €

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EC-Contrib. €

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Partnership

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Project "ALMA" data sheet

The following table provides information about the project.

Coordinator
COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES 

Organization address
address: RUE LEBLANC 25
city: PARIS 15
postcode: 75015
website: www.cea.fr

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country France [FR]
 Project website http://www.almabte.eu
 Total cost 3˙264˙664 €
 EC max contribution 3˙264˙664 € (100%)
 Programme 1. H2020-EU.2.1.3.1. (Cross-cutting and enabling materials technologies)
 Code Call H2020-NMP-2014-two-stage
 Funding Scheme RIA
 Starting year 2015
 Duration (year-month-day) from 2015-06-01   to  2018-05-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES FR (PARIS 15) coordinator 896˙529.00
2    UNIVERSITAT LINZ AT (LINZ) participant 707˙000.00
3    AIXTRON SE DE (HERZOGENRATH) participant 549˙400.00
4    SILVACO EUROPE LTD UK (ST IVES) participant 415˙625.00
5    TECHNISCHE UNIVERSITAET WIEN AT (WIEN) participant 393˙388.00
6    RUHR-UNIVERSITAET BOCHUM DE (BOCHUM) participant 255˙361.00
7    STMICROELECTRONICS SRL IT (AGRATE BRIANZA) participant 47˙360.00

Map

 Project objective

Heat management is a paramount challenge in many cutting edge technologies, including new GaN electronic technology, turbine thermal coatings, resistive memories, or thermoelectrics. Further progress requires the help of accurate modeling tools that can predict the performance of new complex materials integrated in these increasingly demanding novel devices. However, there is currently no general predictive approach to tackle the complex multiscale modeling of heat flow through such nano and micro-structured systems. The state of the art, our predictive approach “ShengBTE.org”, currently covers the electronic and atomistic scales, going directly from them to predict the macroscopic thermal conductivity of homogeneous bulk materials, but it does not tackle a mesoscopic structure. This project will extend this predictive approach into the mesoscale, enabling it to fully describe thermal transport from the electronic ab initio level, through the atomistic one, all the way into the mesoscopic structure level, within a single model. The project is a 6 partner effort with complementary fields of expertise, 3 academic and 3 from industry. The widened approach will be validated against an extensive range of test case scenarios, including carefully designed experimental measurements taken during the project. The project will deliver a professional multiscale software permitting, for the first time, the prediction of heat flux through complex structured materials of industrial interest. The performance of the modeling tool will be then demonstrated in an industrial setting, to design a new generation of substrates for power electronics based on innovating layered materials. This project is expected to have large impacts in a wide range of industrial applications, particularly in the rapidly evolving field of GaN based power electronics, and in all new technologies where thermal transport is a key issue.

 Deliverables

List of deliverables.
Publications on experimental validation of model Documents, reports 2019-07-25 15:11:31
Validation with MD simulations for III-V Documents, reports 2019-07-25 15:11:31
Submission for publication of AlmaBTE code Documents, reports 2019-07-25 15:11:31
Report on communication activities Documents, reports 2019-07-25 15:11:31
Publication of validation with MD simulations for defects Documents, reports 2019-07-25 15:11:31
Presentation of new substrate concepts at various conferences Documents, reports 2019-07-25 15:11:31
Demonstration of fully interfaced AlmaBTE with TCAD software. Documents, reports 2019-07-25 15:11:31
Input/output interface protocol version 2 Other 2019-07-25 15:11:31
Project website Websites, patent fillings, videos etc. 2019-07-25 15:11:30
Online repository and API Websites, patent fillings, videos etc. 2019-07-25 15:11:30
AlmaBTE’s website Websites, patent fillings, videos etc. 2019-07-25 15:11:30
First version of AlmaBTE Other 2019-07-25 15:11:30

Take a look to the deliverables list in detail:  detailed list of ALMA deliverables.

 Publications

year authors and title journal last update
List of publications.
2016 Robin Stern, Georg K. H. Madsen
Ab initio investigation of the anomalous phonon softening in FeSi
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.94.144304
Physical Review B 94/14 2019-07-25
2017 B Dongre, T Wang, G K H Madsen
Comparison of the Green–Kubo and homogeneous non-equilibrium molecular dynamics methods for calculating thermal conductivity
published pages: 54001, ISSN: 0965-0393, DOI: 10.1088/1361-651X/aa6f57
Modelling and Simulation in Materials Science and Engineering 25/5 2019-07-25
2017 Nakib Haider Protik, Ankita Katre, Lucas Lindsay, Jesús Carrete, Natalio Mingo, David Broido
Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles
published pages: 31-38, ISSN: 2542-5293, DOI: 10.1016/j.mtphys.2017.05.004
Materials Today Physics 1 2019-07-25
2018 Bjorn Vermeersch, Natalio Mingo
Quasiballistic heat removal from small sources studied from first principles
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.97.045205
Physical Review B 97/4 2019-07-25
2018 Bonny Dongre, Jesús Carrete, Ankita Katre, Natalio Mingo, Georg K. H. Madsen
Resonant phonon scattering in semiconductors
published pages: 4691-4697, ISSN: 2050-7534, DOI: 10.1039/C8TC00820E
Journal of Materials Chemistry C 6/17 2019-07-25
2016 Peixuan Chen, Tanja Etzelstorfer, Florian Hackl, Nebil A. Katcho, Hung-Tai Chang, Lukas Nausner, Sheng-Wei Lee, Thomas Fromherz, Julian Stangl, Oliver G. Schmidt, Natalio Mingo, Armando Rastelli
Evolution of thermal, structural, and optical properties of SiGe superlattices upon thermal treatment
published pages: 533-540, ISSN: 1862-6300, DOI: 10.1002/pssa.201532468
physica status solidi (a) 213/3 2019-07-25
2017 Jesús Carrete, Bjorn Vermeersch, Ankita Katre, Ambroise van Roekeghem, Tao Wang, Georg K.H. Madsen, Natalio Mingo
almaBTE : A solver of the space–time dependent Boltzmann transport equation for phonons in structured materials
published pages: 351-362, ISSN: 0010-4655, DOI: 10.1016/j.cpc.2017.06.023
Computer Physics Communications 220 2019-07-25
2017 Jesús Carrete, Luis J. Gallego, Natalio Mingo
Structural Complexity and Phonon Physics in 2D Arsenenes
published pages: 1375-1380, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.7b00366
The Journal of Physical Chemistry Letters 8/7 2019-07-25
2018 Georg K.H. Madsen, Jesús Carrete, Matthieu J. Verstraete
BoltzTraP2 , a program for interpolating band structures and calculating semi-classical transport coefficients
published pages: , ISSN: 0010-4655, DOI: 10.1016/j.cpc.2018.05.010
Computer Physics Communications 2019-07-25
2017 Subrahmanyam Bandaru, Ankita Katre, Jesús Carrete, Natalio Mingo, Philippe Jund
Influence of Antisite Defects on the Thermoelectric Properties of Fe 2 VAl
published pages: 237-246, ISSN: 1556-7265, DOI: 10.1080/15567265.2017.1355948
Nanoscale and Microscale Thermophysical Engineering 21/4 2019-07-25
2017 Giulia Capuzzo, Dmytro Kysylychyn, Rajdeep Adhikari, Tian Li, Bogdan Faina, Aitana Tarazaga Martín-Luengo, Alberta Bonanni
All-nitride AlxGa1−xN:Mn/GaN distributed Bragg reflectors for the near-infrared
published pages: 42697, ISSN: 2045-2322, DOI: 10.1038/srep42697
Scientific Reports 7 2019-07-25
2016 Bjorn Vermeersch
Compact stochastic models for multidimensional quasiballistic thermal transport
published pages: 175102, ISSN: 0021-8979, DOI: 10.1063/1.4965866
Journal of Applied Physics 120/17 2019-07-25
2017 Tao Wang, Jesús Carrete, Ambroise van Roekeghem, Natalio Mingo, Georg K. H. Madsen
Ab initio phonon scattering by dislocations
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.95.245304
Physical Review B 95/24 2019-07-25
2018 L Thumfart, J Carrete, B Vermeersch, N Ye, T Truglas, J Feser, H Groiss, N Mingo, A Rastelli
Thermal transport through Ge-rich Ge/Si superlattices grown on Ge(0 0 1)
published pages: 14001, ISSN: 0022-3727, DOI: 10.1088/1361-6463/aa98c5
Journal of Physics D: Applied Physics 51/1 2019-07-25
2017 Fleur Legrain, Jesús Carrete, Ambroise van Roekeghem, Stefano Curtarolo, Natalio Mingo
How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids
published pages: 6220-6227, ISSN: 0897-4756, DOI: 10.1021/acs.chemmater.7b00789
Chemistry of Materials 29/15 2019-07-25
2018 Ankita Katre, Jesús Carrete, Tao Wang, Georg K. H. Madsen, Natalio Mingo
Phonon transport unveils the prevalent point defects in GaN
published pages: , ISSN: 2475-9953, DOI: 10.1103/physrevmaterials.2.050602
Physical Review Materials 2/5 2019-07-25
2017 Ankita Katre, Jesús Carrete, Bonny Dongre, Georg K. H. Madsen, Natalio Mingo
Exceptionally Strong Phonon Scattering by B Substitution in Cubic SiC
published pages: , ISSN: 0031-9007, DOI: 10.1103/PhysRevLett.119.075902
Physical Review Letters 119/7 2019-07-25
2016 Nakib Haider Protik, Jesús Carrete, Nebil A. Katcho, Natalio Mingo, David Broido
Ab initio study of the effect of vacancies on the thermal conductivity of boron arsenide
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.94.045207
Physical Review B 94/4 2019-07-25
2016 Ankita Katre, Jesús Carrete, Natalio Mingo
Unraveling the dominant phonon scattering mechanism in the thermoelectric compound ZrNiSn
published pages: 15940-15944, ISSN: 2050-7488, DOI: 10.1039/C6TA05868J
J. Mater. Chem. A 4/41 2019-07-25
2016 Bjorn Vermeersch, Jesús Carrete, Natalio Mingo
Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates
published pages: 193104, ISSN: 0003-6951, DOI: 10.1063/1.4948968
Applied Physics Letters 108/19 2019-07-25
2016 Brandon Smith, Bjorn Vermeersch, Jesús Carrete, Eric Ou, Jaehyun Kim, Natalio Mingo, Deji Akinwande, Li Shi
Temperature and Thickness Dependences of the Anisotropic In-Plane Thermal Conductivity of Black Phosphorus
published pages: , ISSN: 0935-9648, DOI: 10.1002/adma.201603756
Advanced Materials 2019-07-25
2016 Jesús Carrete, Wu Li, Lucas Lindsay, David A. Broido, Luis J. Gallego, Natalio Mingo
Physically founded phonon dispersions of few-layer materials and the case of borophene
published pages: 204-211, ISSN: 2166-3831, DOI: 10.1080/21663831.2016.1174163
Materials Research Letters 4/4 2019-07-25
2016 R. Adhikari, M. Matzer, A. Tarazaga Martín-Luengo, M. C. Scharber, A. Bonanni
Rashba semiconductor as spin Hall material: Experimental demonstration of spin pumping in wurtzite n -GaN:Si
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.94.085205
Physical Review B 94/8 2019-07-25
2016 Ambroise van Roekeghem, Jesús Carrete, Corey Oses, Stefano Curtarolo, Natalio Mingo
High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites
published pages: , ISSN: 2160-3308, DOI: 10.1103/PhysRevX.6.041061
Physical Review X 6/4 2019-07-25
2016 D. Sztenkiel, M. Foltyn, G. P. Mazur, R. Adhikari, K. Kosiel, K. Gas, M. Zgirski, R. Kruszka, R. Jakiela, Tian Li, A. Piotrowska, A. Bonanni, M. Sawicki, T. Dietl
Stretching magnetism with an electric field in a nitride semiconductor
published pages: 13232, ISSN: 2041-1723, DOI: 10.1038/ncomms13232
Nature Communications 7 2019-07-25
2016 Gabriella Coloyan, Nicholas D. Cultrara, Ankita Katre, Jesús Carrete, Matt Heine, Eric Ou, Jaehyun Kim, Shishi Jiang, Lucas Lindsay, Natalio Mingo, David Broido, Joseph P. Heremans, Joshua Goldberger, Li Shi
Basal-plane thermal conductivity of nanocrystalline and amorphized thin germanane
published pages: 131907, ISSN: 0003-6951, DOI: 10.1063/1.4963704
Applied Physics Letters 109/13 2019-07-25
2018 J. Carrete, B. Vermeersch, L. Thumfart, R. R. Kakodkar, G. Trevisi, P. Frigeri, L. Seravalli, J. P. Feser, A. Rastelli, N. Mingo
Predictive Design and Experimental Realization of InAs/GaAs Superlattices with Tailored Thermal Conductivity
published pages: 4054-4062, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.7b11133
The Journal of Physical Chemistry C 122/7 2019-07-25

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