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Getting to Grips with Glassy Materials

March 6, 2018

Jon Machta, an emeritus professor of physics at UMass Amherst, works in the area of theoretical condensed matter and statistical physics. Statistical physicists use probability theory to study behavior of many-particle systems whose exact microscopic state is uncertain. Current research in his group involves theoretical and computational studies of spin and fluid systems, synchrony in ecology, and the development of algorithms to study these systems.
"The big question in statistical physics is how the interaction of many simple constituents can lead to emergent properties and complex behavior," says Machta. "One problem studied in statistical physics is the phases of matter and the transition between these.  For example, water molecules can form a solid (ice), a liquid (water) or a gas (steam), however, there is nothing about a single water molecule that makes it solid, liquid or gas.  These properties  emerge from the interactions between a vast number of water molecules and the question of what phase they will be found in depends on things like temperature and pressure."
Statistical physics provides theoretical tools for making quantitative predictions about how water and other substances will behave once the local interaction between water molecules is known.  In many cases, however, these predictions cannot be obtained with pencil and paper calculations alone but require computer simulations using advanced algorithms.
Machta's specialty is in computational statistical physics and involves developing and applying algorithms to understand the properties of materials.  His current work, carried out at the MGHPCC,  has been to understand glasses.  Glassy materials are neither liquid nor solid but share properties of both.  Glasses are rigid like solids but their molecules lack a crystalline structure being randomly organized nearly as they would be in a liquid.  Glasses have eluded the theoretical computational tools that have successfully explained  liquids and solids and a particular goal of Machta's has been efforts to develop a new algorithm that can be applied to the glass phase.
Together with UMass undergraduate Jared Callaham (now a graduate student at the University of Washington), Machta developed a new algorithm called "population annealing" and applied it to a simple model of a glass.  With it Callahan and Machta were able to simulate this simple model in the glass phase and extract quantitative predictions for its behavior.  Although the molecular interactions in the model they studied were highly oversimplified, the research is nonetheless expected to have two important real world implications:  First, the population annealing algorithm is a powerful general computational method that can be applied to realistic materials and, even more generally, to a broad class of problems that arise in computer science called combinatorial optimization problems.  Second,  there are general features of glasses that extend over the entire class of glassy materials so carefully studying a simple model can yield important insights for many real world materials.

Jon Machta is a professor of physics at UMASS Amherst specializing in statistical physics.

Links

Jon Machta UMASS Amherst

Recent Publication

Jared Callaham and Jonathan Machta (2017), Population annealing simulations of a binary hard-sphere mixture, Phys. Rev. E 95, 063315, doi: 10.1103/PhysRevE.95.063315
 

Research projects

A Future of Unmanned Aerial Vehicles
Yale Budget Lab
Volcanic Eruptions Impact on Stratospheric Chemistry & Ozone
Towards a Whole Brain Cellular Atlas
Tornado Path Detection
The Kempner Institute - Unlocking Intelligence
The Institute for Experiential AI
Taming the Energy Appetite of AI Models
Surface Behavior
Studying Highly Efficient Biological Solar Energy Systems
Software for Unreliable Quantum Computers
Simulating Large Biomolecular Assemblies
SEQer - Sequence Evaluation in Realtime
Revolutionizing Materials Design with Computational Modeling
Remote Sensing of Earth Systems
Quantum Computing in Renewable Energy Development
Pulling Back the Quantum Curtain on ‘Weyl Fermions’
New Insights on Binary Black Holes
NeuraChip
Network Attached FPGAs in the OCT
Monte Carlo eXtreme (MCX) - a Physically-Accurate Photon Simulator
Modeling Hydrogels and Elastomers
Modeling Breast Cancer Spread
Impact of Marine Heatwaves on Coral Diversity
IceCube: Hunting Neutrinos
Genome Forecasting
Global Consequences of Warming-Induced Arctic River Changes
Exact Gravitational Lensing by Rotating Black Holes
Evolution of Viral Infectious Disease
Evaluating Health Benefits of Stricter US Air Quality Standards
Ephemeral Stream Water Contributions to US Drainage Networks
Energy Transport and Ultrafast Spectroscopy Lab
Electron Heating in Kinetic-Alfvén-Wave Turbulence
Discovering Evolution’s Master Switches
Dexterous Robotic Hands
Developing Advanced Materials for a Sustainable Energy Future
Detecting Protein Concentrations in Assays
Denser Environments Cultivate Larger Galaxies
Deciphering Alzheimer's Disease
Dancing Frog Genomes
Cyber-Physical Communication Network Security
Asteroid Data Mining
Analyzing the Gut Microbiome
Adaptive Deep Learning Systems Towards Edge Intelligence
Accelerating Rendering Power
ACAS X: A Family of Next-Generation Collision Avoidance Systems
Neurocognition at the Wu Tsai Institute, Yale
Computational Modeling of Biological Systems
Computational Molecular Ecology
Social Capital and Economic Mobility
Building for Floods
Better Pathogen Targeting
Tracking Environmental Health Risks
AI for Cancer Diagnosis
Microplastic-Free by Design
Supporting Data-intensive Social Science
Sailing the Symbiosis Seascape
Wrangle Range Modeling
Shining a Light on Dark Matter
Grid Responsive Data Centers
Multifunctional 3D-Printed Materials
AI Pareidolia
Computing Hidden Health Threats from Heat
Staving off the Banana Apocalypse
CRISPR Mice, Smarter Science
AI That Speaks Human About Health
A Safer Way to See Inside Cells
How Monkeys - and Machines - See in 3D
FlowER: AI for Predicting Chemical Reactions
Bone Ratios and Big Data
Supercomputers Reveal Ancient Atmospheric Battle
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