Modeling & Simulation

Extensive modeling leads to new shape-memory zirconia with properties on par with shape-memory alloys

By Lisa McDonald / December 20, 2022

Even when a shape-memory ceramic’s lattice compatibility is improved, it still often experiences cracking after just a few dozen transformation cycles. Researchers at the Massachusetts Institute of Technology improved the cyclability of shape-memory zirconia ceramics with the help of a multimode modeling approach.

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Introduction to “Molecular dynamics simulations” for Glass: Then and Now

By Jonathon Foreman / September 9, 2022

As part of the IYoG celebrations, ACerS’ “Glass: Then and Now” series is highlighting ACerS journal articles each month that support advancement in glass science and technology. The focus this month is molecular dynamics simulations.

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Model reveals how to attain dynamic control of ferroionic states in ferroelectric nanoparticles

By Lisa McDonald / August 19, 2022

There still is much to learn about how surface-charge dynamics influence the behavior of ferroelectric materials. In a recent open-access paper, researchers from the United States and Ukraine used finite element modeling to map these dynamics for ferroelectric nanoparticle dispersions.

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Illuminating the past through modern techniques: A review of computer-based methods for archaeological pottery analysis

By Lisa McDonald / July 1, 2022

Computer-based methods aid in identification, classification, and reconstruction of ancient artifacts. A recent review paper outlines the strengths and weaknesses of current state-of-the-art computer-based methods for analyzing archaeological pottery.

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One phase to rule them all—researchers use Monte Carlo simulations to determine most stable structure of boron nitride

By Lisa McDonald / April 29, 2022

Though hexagonal boron nitride is generally regarded as the most stable boron nitride structure, the relative phase stabilities of boron nitride polymorphs are still under debate. Researchers led by the Japan Advanced Institute of Science and Technology used Monte Carlo simulations to calculate the relative phase stabilities of these polymorphs.

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Let there be (controlled) light—new calibration method eliminates illumination variations in scans of stained-glass windows

By Lisa McDonald / April 1, 2022

Hyperspectral imaging has gained much attention in the field of cultural heritage, but there are difficulties using it outdoors due to ever-changing levels of light. Researchers looked to overcome this limitation by developing a calibration method that can account for and eliminate variations in illumination.

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New analysis model determines reliability and sensitivity of cold-bent curtain wall glass

By Lisa McDonald / February 8, 2022

Cold bending is a method commonly used to form curved glass for curtain walls. Researchers in China developed an analysis model to determine the reliability and sensitivity of glass formed this way.

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Probing the ocean’s origins—ultrahigh-pressure magnesium hydrosilicates may have served as reservoirs of early water

By Lisa McDonald / February 4, 2022

The origins of the world ocean remain a much-debated topic to this day. A new paper by researchers from several universities in China and the Skolkovo Institute of Science and Technology in Russia posits that magnesium hydrosilicates served as reservoirs of water in early Earth.

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Challenging the standard—researchers propose new model for determining piezoelectricity in ferroelectric crystals

By Lisa McDonald / December 14, 2021

When designing ferroelectric materials, researchers have long been guided by the belief that smaller domain sizes lead to greater piezoelectric properties. A recent study by Penn State and Xi’an Jiaotong University researchers raises questions about this standard rule.

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Materials Genome Initiative updates strategic plan

By Eileen De Guire / December 10, 2021

In November 2021, the National Science and Technology Council subcommittee marked the 10th anniversary of the Materials Genome Initiative by issuing a new, comprehensive five-year strategic plan for the MGI. Learn more about the new plan in today’s CTT.

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