User profiles for Sourabh Bajaj
 | Saurabh BajajMicron Technology Inc Verified email at lbl.gov Cited by 1511 |
Matminer: An open source toolkit for materials data mining
As materials data sets grow in size and scope, the role of data mining and statistical learning
methods to analyze these materials data sets and build predictive models is becoming …
methods to analyze these materials data sets and build predictive models is becoming …
Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment
We present an overview and preliminary analysis of computed thermoelectric properties for
more than 48 000 inorganic compounds from the Materials Project (MP). We compare our …
more than 48 000 inorganic compounds from the Materials Project (MP). We compare our …
Computational and experimental investigation of TmAgTe 2 and XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high …
A new group of thermoelectric materials, trigonal and tetragonal XYZ2 (X, Y: rare earth or
transition metals, Z: group VI elements), the prototype of which is TmAgTe2, is identified by …
transition metals, Z: group VI elements), the prototype of which is TmAgTe2, is identified by …
[HTML][HTML] Phase stability in nanoscale material systems: extension from bulk phase diagrams
Phase diagrams of multi-component systems are critical for the development and engineering
of material alloys for all technological applications. At nano dimensions, surfaces (and …
of material alloys for all technological applications. At nano dimensions, surfaces (and …
Revisiting thermodynamics and kinetic diffusivities of uranium–niobium with Bayesian uncertainty analysis
In this work, thermodynamic and kinetic diffusivities of uranium–niobium (U–Nb) are re-assessed
by means of the CALPHAD (CALculation of PHAse Diagram) methodology. In order to …
by means of the CALPHAD (CALculation of PHAse Diagram) methodology. In order to …
YCuTe 2: a member of a new class of thermoelectric materials with CuTe 4-based layered structure
Intrinsically doped samples of YCuTe2 were prepared by solid state reaction of the elements.
Based on the differential scanning calorimetry and the high temperature X-ray diffraction …
Based on the differential scanning calorimetry and the high temperature X-ray diffraction …
Ab initio study of intrinsic point defects in PbTe: an insight into phase stability
The stability of intrinsic point defects in PbTe, one of the most widely studied and efficient
thermoelectric material, is explored by means of Density Functional Theory (DFT). The origin of …
thermoelectric material, is explored by means of Density Functional Theory (DFT). The origin of …
The U–Ti system: Strengths and weaknesses of the CALPHAD method
Input from Density Functional Theory (DFT) calculations is used to understand phase
equilibria in a binary metallic alloy fuel system: U–Ti. The CALPHAD approach is employed to …
equilibria in a binary metallic alloy fuel system: U–Ti. The CALPHAD approach is employed to …
Machine learning for alloy composition and process optimization
The drive for greater efficiency in turbomachinery has led to increasingly stringent specifications
for the materials used. Current methods for optimizing alloy composition and processing …
for the materials used. Current methods for optimizing alloy composition and processing …
p-Type Co Interstitial Defects in Thermoelectric Skutterudite CoSb3 Due to the Breakage of Sb4-Rings
Skutterudite CoSb 3 based thermoelectric devices have high potential for engineering
applications because both n- and p-type doped CoSb 3 demonstrate excellent thermoelectric …
applications because both n- and p-type doped CoSb 3 demonstrate excellent thermoelectric …