- Our Capabilities
- Specialty Builders
- Analysis and Properties
- Mechanical/Thermal Properties
- Phonon - Thermodynamic Properties
- Transition State Search
- P3C Polymer Property Prediction using Correlations
- LAMMPS-Thermal conductivity
- Embedded Atom Potentials
- MedeA Surface Tension
- Compute Engines
- Climbing Length Scales
- Application Notes
- Atomistic Simulations of Multi-Phase Systems
- MedeA ICME seminar
- Users Group Meeting 2015
Materials Properties Services
Materials Properties Service: New Service Based On MedeA
Materials Design, Inc. is excited to offer a new service:
Benefit from our MedeA® technology to get the valuable materials properties you need – reliably, economically and saving your valuable time
So if you are...
...looking to better guide and focus for your experimental work
...going after the properties where experiments are difficult, dangerous or costly
...keen to understand different scenarios and explain experimental results
...interested to run screening series modifying the structure of the materials
then this service is ideally suited to your needs.
You get the answers you need – timely and economically, compared to any alternative solution. You get the best from MedeA®and experience first-hand what it can do in practical setting – but don’t have to invest the time in it yourself, at least for now.
To make this service economical for you, we prepared the catalogue of properties that can be calculated efficiently. Clearly, MedeA®can address systems and properties of much greater complexity – but this would require different investment on your part.
Here’s how it works:
- review our catalogue of properties and a few criteria for the materials systems
- contact us at firstname.lastname@example.org with
- the description of your system(s) … the more precise you can be (e.g. if you have ICSD or CAS references), the faster (and less costly) you get the results
- the set of properties from the catalogue you need
- we rapidly come back to you with the confirmation of feasibility, pricing, payment and delivery timelines - and a simple order form
- once all simple formalities are in place, we will issue the order confirmation
- our team will get the agreed properties and appropriate accuracy estimates, using our MedeA®environment - no later than the stated timelines (which mostly depend on the complexity of your systems).
|Class Of Properties||Block Of Properties|
Moduli properties - Bulk, Young’s, Shear
Velocity of sound
|Thermal linear expansion coefficients|
|Thermochemical||Spectra – IR, Raman, Phonon|
|Enthalpy, entropy, Gibbs free energy|
|Reaction energies (multi-system)|
|Electronic||Thermoelectric power (Seebeck coefficient)
Electronic specific heat
Pauli paramagnetic susceptibility
|Fermi surfaces (3D rendering of isoenergy)|
|Effect of doping on Fermi surface|
In order to manage computing load, we have to limit the materials systems to the maximum of 50 atoms.
There may be additional requirements on the systems depending on specific properties – we will revert to you in the confirmation of feasibility.
Note that we constantly work to extend our offering – so if you feel you need properties which are not listed – contact us at email@example.com