Essays about: "atomistic model"

Showing result 1 - 5 of 11 essays containing the words atomistic model.

1. 1. Spin-Glass Behaviour in Ordered Solids

   University essay from Uppsala universitet/Materialteori

   Author : Erik Karpelin; [2023]
   Keywords : spin-glass; self-induced; variation; Edwards-Andersson; glassy;

   Abstract : The spin-glass is a peculiar magnetic phase, exhibiting non-trivial dynamics at low temperatures, characterized by an continuously evolving state without long-range order. The behavior requires some degree of disorder to occur, often in the way of impurities or random exchange energy between the spins. READ MORE

3. 2. The Magnetocaloric Effect in Antiferromagnetic and Noncollinear Magnets

   University essay from Uppsala universitet/Materialteori

   Author : Siri Alva Berge; [2023]
   Keywords : magnetocaloric effect; atomistic spin dynamics; monte carlo; antiferromagnet; neodymium; noncollinear magnetism;

   Abstract : The magnetocaloric effect (MCE) is the temperature change in a magnetic material due to a change in an applied magnetic field. How the MCE behaves in different magnetic materials and at different phase transitions is fundamental to understand. READ MORE

4. 3. Automating Water Orientation in Neutron Crystallography using Convolutional Neural Networks

   University essay from Lunds universitet/Matematik LTH

   Author : Simon Bakran; [2022]
   Keywords : Technology and Engineering;

   Abstract : One important aspect of determining the functionality of proteins is to find the direction of the dipole moment of surrounding water molecules. This is equivalent to finding the position of the hydrogen in water, however with the current atomistic model building tools this is a tedious and time-consuming task. READ MORE

5. 4. Establishing simulations of shockwaves in InSb using molecular dynamics

   University essay from Lunds universitet/Atomfysik; Lunds universitet/Fysiska institutionen

   Author : Erik Löfquist; [2021]
   Keywords : Physics and Astronomy;

   Abstract : Laser induced shockwaves have previously been shown to prompt structural changes in germanium. Similar experiments have now been performed in InSb, with powder diffraction patterns displaying a peak at 2.3Å indicating the formation of an unknown structure. READ MORE

6. 5. Combined CALPHAD and Machine Learning for Property Modelling

   University essay from KTH/Materialvetenskap

   Author : Kyle Paulus; [2020]
   Keywords : ;

   Abstract : Techniques to improve the speed at which materials are researched and developed has been conducted by investigating the machine learning methodology. These techniques offer solutions to connect the length scales of material prop- erties from atomistic and chemical features using materials databases generated from collected data. READ MORE