ProgramMaster Logo
Conference Tools for 2016 TMS Annual Meeting & Exhibition
Login
Register as a New User
Help
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting 2016 TMS Annual Meeting & Exhibition
Symposium Alloys and Compounds for Thermoelectric and Solar Cell Applications IV
Presentation Title Modeling the Properties of Thermoelectric Materials via First Principles Simulations
Author(s) , Kinga Niedziolka, Patrick Hermet, Jean-Claude TÚdenac
On-Site Speaker (Planned) Jean-Claude TÚdenac
Abstract Scope Adaptation of thermoelectric materials to applications demands to design complex materials. The optimization of these materials requires an in depth knowledge of their thermoelectric properties but also of other physical properties often linked to the presence of defects. Experimentally the study of these properties can often not be performed and is difficult to tackle especially concerning the defects. This is where ab initio calculations can be of help in permitting to select better materials in silico before going to the synthesis. In this presentation we will focus on three aspects and on three different thermoelectric materials: - the influence of defects/dopants on the thermoelectric properties of ZnSb - the phase stability of High Manganese Silicides (HMS) - the mechanical and thermal properties of Ni-Ti-Sn half-Heusler and Heusler compounds.
Proceedings Inclusion? Planned: A print-only volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Crystal Chemistry, Phase Diagrams, and Thermoelectric Properties of the Ca-M-Co-O (M=Sr, Zn, La, Nd, and Sm) Systems
DD-1: Fabrication of CrSi2/NbSi2 Nanocomposite by Melt Spinning Technique and Thermoelectric Properties
DD-2: Interfacial Reactions at the Joints of Bi2Te3-based Thermoelectric Devices
DD-3: Liquidus Projection of the Bi-In-Te Thermoelectric Material System
DD-4: Thermoelectric Properties of Si/SiB3 sub-microcomposite Prepared by Melt Spinning Technique
Development of High-performance n-type Bi2(TeSe)3 Thermoelectric Alloys by Powder Metallurgical Process
Development of Large Scale Production of p-type Bi2Te3 Alloys with High Performance via Powder Metallurgy Approach
Effect of Excess Magnesium on Mg2Sn Based Thermoelectric Materials
Enhancement of Thermoelectric Performance Calcium Cobaltite through Cation Grain Boundary Segregation
Exploring the Role of Disorder in Discovering New Materials: Entropy Stabilized Oxides
First-Principles Investigation on Improving Thermoelectric Materials
Half-Heusler Microstructure Investigations and Ring-shaped Thermo-elements Elaboration
Interfacial Reactions at the Joints in the CoSb3-based Thermoelectric Devices
Interfacial Reactions of PbTe and Pb0.6Sn0.4Te Thermoelectric Materials with Ag and Cu Foils Using Rapid Hot-Pressing Method and SLID Technique
Investigation of Thin Film Deposition inside Hollow Polymer Cylinders for Solar Energy Harvesting Fabric
Iron Oxide Based Amorphous Semiconductor Thin Films with Extraordinary Optical Transmission and Electrical Conductivity
Kinetics of Boron Removal from Metallurgical Grade Silicon Using High Basic Calcium Silicate Slag Refining
Microstructure, Texture and Incommensurability of Higher Manganese Silicide
Modeling the Properties of Thermoelectric Materials via First Principles Simulations
Multicomponent Silicides for Thermoelectrics. Why Thermodynamic of Materials is Required?
Nanointerface Engineering of Electronic Transport in Bulk Nanostructured in Half-Heulser Alloys
Nanostructuring Silicon Base Materials and Its Impacts on the Thermoelectric Properties
Ni/(Bi0.25Sb0.75)2Te3 and Ni/Bi2(Se0.1Te0.9) Interfacial Reactions
Perspectives for High Temperature Thermoelectrics
Phase Diagrams of Chalcogenide Sn-Sb-Se Ternary System
Qualification and Opportunities of Direct Casting as an Industrialized and Scalable Manufacturing Method for Silicon Based Semi Conductor Materials
Recent Adavnces in Complex Sulphide Materials
Strategies and Approaches for Cost-effective Thermoelectricity: From Materials to Devices
Strategies for Improving the Thermoelectric Performance in Fe2VAl-type Heusler Compounds
Structural Studies and High Performance on Mg2Si-based Ternary and Quaternary Materials for Thermoelectric Power Generation
Study of Diffusion Barrier for the Interfacial Reactions in Thermoelectric Materials under Current Stressing
Surface Passivation by AlOx in c-Si Solar Cells
Synthesis and Grain Growth Rates of Ti-Ni-Sn Based Thermoelectric Alloys
Synthesis of Higher Manganese Silicide via Low Energy Ball Milling and Reactive Sintering
Tetrahedrites: A Way for Sustainable Thermoelectrics?
The Ga and In Coupling Effects in the Doping of the CoSb3 Compound
Thermoelectric Mg- and Mn-Silicides: Challenges and Opportunities for Industrial Applications
Thermoelectric Properties of Cu2-δX-based (X=S, Se, and Te) Materials
Thermoelectric Properties of Higher Copper Chalcogenides
Towards High Figure of Merit zT>1 for p-type FeNbSb Half-Heusler Thermoelectric Materials

Questions about ProgramMaster? Contact programming@programmaster.org