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## CDAC Students Featured in Top Story in APS News Heading link

We’re delighted to see the work of two CDAC students: Bethany Chidester and Hannah Bausch featured ‘above the fold’ in the current issue of APS News. Notably their two studies, both conducted at Z, were the featured highlights of SHOCK22 in Annaheim in the article.

Bethany is a former CDAC student from the University of Chicago (and before that CDAC undergraduate summer intern), now a Director’s Fellow at LANL, and Hannah is currently a CDAC graduate student at Northwestern.

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## CDAC Personnel Chair Sessions, Present Results at the Gordon Conference on Research at High Pressure Heading link

The 2022 Gordon Research Conference (GRC) on Research at High Pressure, entitled Exploring High Pressure Science at the Extremes Through Experiment and Computation was held on July 17-22 at New Hampshire’s Holderness School. CDAC students and postdoctoral researchers, as well as CDAC faculty and collaborators, were well represented at this event, which was held in-person for the first time since 2019. Established in 1955, this Gordon Conference is one of the longest running meetings in the Gordon Conferences portfolio.

The opening session, Challenges to Our Understanding of Dense Matter, featured a lecture by CDAC Partner Eva Zurek entitled “Predicted Light Element Superconductors Under Pressure.” CDAC Director Russell Hemley (University of Illinois Chicago) chaired the following session on Hydrogen-Rich Systems, and former CDAC postdoctoral researcher Amy (Lazicki) Jenei (Livermore National Laboratory) chaired the session Beyond Earth : Pressure as an Experimental Probe. CDAC collaborator and Beamline Scientist Guoyin Shen from HPCAT chaired the session on New Phenomena at High Density.

Graduate students affiliated with CDAC groups made a number of presentations at the poster session held on July 21, and UIC’s Anmol Lamichhane received one of the conferences’s Best Poster Awards.

The complete schedule is available at : https://www.grc.org/research-at-high-pressure-conference/2022/

On July 16-17, immediately preceding the GRC was the Gordon Research Seminar “Research at High Pressure” for graduate students and early career scientists. In the session Novel Chemistry and Syntheses, CDAC postdoctoral researcher Katie Hilleke (University at Buffalo) presented her work on “Chemical Pressure in the Structures of Superconducting Metal Hydrides : Stabilization and Design.”

The program for the Gordon Research Seminar is available at https://www.grc.org/research-at-high-pressure-grs-conference/2022

For more on the Gordon Research Conferences, go to https://www.grc.org/about/

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Allison Pease, a CDAC graduate student from the research group of Academic Partner Susannah Dorfman at Michigan State University, is the 2022 recipient of the Edward H. Kraus Crystallographic Research Fund Grant from the Mineralogical Society of America. The Kraus award is based on a competitive proposal process and provides up to $5000 for research in the field of mineralogical crystallography. Proposals for research in the areas of mineralogy, crystal chemistry, petrology, mineral physics, biomineralization, and geochemistry are all eligible for funding, and studies may be pursued using crystallographic, spectroscopic, analytical or computational methods. The award may go to undergraduate or graduate students as well as beginning faculty and young researchers. The title of Allison’s proposal is “Structural Variation in Silicate Perovskites.” Other CDAC-supported graduate students receiving the Kraus award include Arianna Gleason (University of California-Berkeley, 2013) and Josh Townsend (Northwestern University, 2012). Current CDAC Academic Partner Steven Jacobsen (Northwestern University) also received the Kraus award as a graduate student at the University of Colorado-Boulder in 2001. Allison is a graduate of Augustana College in Rock Island, Illinois, and she also holds an M.S. degree from the University of Michigan. The entire CDAC community sends its best wishes to Allison in recognition of this outstanding achievement. Congratulations Allison! ================================================================= ## CHESS workshop: Computing, Machine Learning, and Data-Intensive Science at Synchrotron Facilities, July 26-27 Heading link Research at synchrotron light sources hold transformational promise to address some of the most pressing scientific questions in society. They provide the unique ability to probe matter from atomic to mesoscopic length scales; enable experiments at physically-relevant conditions with respect to parameters such as temperature, chemical environment, mechanical loading, and so on; and can probe phenomena over time-scales spanning many orders of magnitude. While these capabilities have enabled scientific breakthroughs across multiple fields, recent dramatic improvements in x-ray source brightness and advances in detector technology have led to an explosion in sophisticated measurement techniques and raw data volumes, presenting technological and computational challenges as well as scientific opportunities. To fully realize the promise of these facilities, we need new strategies for managing, interacting with, and extracting relevant physical information from increasingly large and complex datasets. This workshop will bring together experts in x-ray and domain science, machine learning, scientific computing, cyberinfrastructure, and data management to share knowledge and brainstorm ways to advance computational tools and infrastructure for data-intensive x-ray science. Workshop goals: • Inform future facility directions and initiatives • Identify opportunities for collaboration within and across disciplines • Identify community training and support needs Topical sessions: • On-the-fly data analysis • Machine learning • Computational- and data-intensive applications • Data curation • Workflows, visualization and systems for big data REGISTER NOW! JULY 26 & 27 JOIN NOW Passcode: CHESS ================================================================= ## Broader Impacts Beyond CDAC : Lectures on the Use of XTALOpt Heading link In June 2022, CDAC Academic Partner Eva Zurek (University at Buffalo) gave a 4hr hands-on workshop on using the XtalOpt evolutionary algorithm for crystal structure prediction to a group of graduate students and postdoctoral associates at the recent 56th Course at the International School of Crystallography: Crystallography Under Extreme Conditions: The Future is Very Bright and Compressed. The course, held in Erice, Sicily from June 3-11 also featured two lectures by Professor Zurek, one on state-of-the-art techniques for computational structure prediction, and another on how these techniques have been used to understand the structures and properties of hydrogen-rich materials at very high pressures. In 2022 Professor Zurek has also given three (virtual) seminars at primarily undergraduate institutions: St. Bonaventure University, California State University-San Bernardino, and California State Polytechnic University-Pomona, during which she described how crystal structure prediction is being used in materials design, and provided case studies of the successful application of these techniques. ================================================================= ## CDAC Collaborator Jorge Muñoz Receives Cottrell Scholar Award Heading link Jorge Muñoz, an assistant professor of physics at The University of Texas at El Paso, has been named a 2022 Cottrell Scholar by the Research Corporation for Science Advancement. Muñoz, who was a CDAC graduate student working with former CDAC Academic Partner Brent Fultz at the California Institute of Techology is one of 24 teacher-scholars in chemistry, physics, and astronomy to receive this highly prestigious award, which recognizes excellence in research and teaching as well as the recipient’s potential to become an academic leader. The award comes with a financial prize of$100,000.

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The MST-8 Materials Science in Radiation and Dynamic Extremes Group in Materials Science and Technology Division at Los Alamos National Laboratory (LANL) has a summer internship opening (May-September, 2022) for a creative and resourceful Post Master’s student with background in Laue diffraction and high-pressure diamond anvil cell experiments for understanding structure property relationship in materials.

The in situ Laue diffraction at high pressure studies have the potential to probe materials deformation and microstructural changes in real-time. Although these methods are having a large impact on material science and on the understanding of materials at the mesoscale, one of the major challenges is real-time data analysis and automation. As a Post Master’s student the selected candidate will work with LANL mentors and collaborators at the Advanced Photon Source to develop workflow utilizing novel machine learning and deep learning techniques for enabling automated in situ data analysis and interpretation with minimum human intervention.

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The 22nd Biennial APS Shock Compression of Condensed Matter Conference will be held in Anaheim, CA on July 11-15, 2022 at the Anaheim Marriott. We are planning an in-person meeting and are currently researching a hybrid option. Additional details will be provided as soon as we have them.
Abstract submission and hotel reservations are currently open! Abstract submissions close March 4, 2022 and can be submitted here: [https://PHYSICS.p%20lanion.com/Z?861248252]PHYSICS.p lanion.com/Z?861248252

Hotel reservations are open until June 17, 2022. Reservations are available at GSA per diem rate. If you’re planning to attend, please make your reservations early and use this link: book.passkey.com/e/50251972
It is very important to make reservations through the conference link to ensure we make our room block commitment.

Conference Website: engage.aps.org/gsccm/meetings/biennial-2022

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Congratulations from the entire CDAC community go out to Academic Partner Eva Zurek from the University at Buffalo, who received the 2021 SUNY Chancellor’s Award for Excellence in Scholarship and Creative Activities.  Second from left in the accompanying photo, Professor Zurek is pictured with other Chancellor’s Award recipients.

The Chancellor’s Awards are conferred to acknowledge and provide recognition for consistently superior professional achievement and to encourage the pursuit of excellence. Chancellors Awards in the SUNY (State University of New York) group of universities are made in five categories: Faculty Service, Librarianship, Professional Service, Scholarship and Creative Activities, and Teaching.

Congratulations, Eva !

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Sara Kadkhodaei, a CDAC affiliated faculty member at UIC and a co-PI with CDAC Partner Eva Zurek, CDAC Director Russell Hemley, and CDAC affilliated faculty member Michael Trenary on the DMREF award, “Machine Algorithm Prediction and Synthesis of Next-Generation Superhard Functional Materials” is a co-author on a new paper on the use of machine learning in materials science published recently in Nature Communications Materials.

The paper describes a method whereby the latent information that is inherently embedded in the structure of a crystalline material is used to create an image representation of a crystal structure based on its chemical attributes.  This image representation allows the use of a “convolutional encoder” that learns the features of chemical and structural features of materials that allow synthesis.  Materials are then classified into synthesizable materials and crystal anomalies.  The deep learning approach holds the promise of streamlining the synthesis of new materials with tailored properties by enabling the targeted search of parameter space, and replacing the time-consuming and inefficient trial-and-error method.

[Davariashtiyani, A., et al., Predicting synthesizability of crystalline materials via deep learning.  Nature Communications Materials 2, 115 (2021)]

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## November 3, 2021

3:00 PM – 4:00 PM

Lawrence Livermore National Laboratory is a Department of Energy national laboratory dedicated to applying leading edge science and technology to address the most pressing challenges facing the nation and the world today, from pandemic disease to climate change to national security and beyond. This talk will explore the mission applications, science and technology foundations, and unique environment of LLNL and offer insight into building a career at the national labs. Dr. Budil holds a BS in Physics from UIC (1987), and holds a PhD in Engineering and Applied Science from UC Davis (1994).

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The Sekazi K. Mtingwa Scholarship supports the increased participation of identities (African American/Black, Hispanic/Latinx,and Indigenous) that are historically underrepresented in the study and workforce of Accelerator Science and Engineering (AS&E). This merit-based award is named in honor of Professor Sekazi Mtingwa. Prof. Mtingwa, a pioneering accelerator physicist, received the 2017 Robert R. Wilson Prize for Achievement in the Physics of Particle Accelerators for his innovative work on the theory of intrabeam scattering. Throughout his illustrious career he has actively sought to broaden participation in the physical sciences.

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Bismuth is nominally the heaviest element stable to radioactive decay;
accordingly, it possesses a significant amount of spin-orbit coupling. We are
harnessing this spin orbit coupling to perturb the properties of other atoms. Our
effort spans molecules and materials, with a key emphasis on reconstituting a
magnetic moment from its two constituent components – spin and orbital angular
momentum. Bismuth offers orbital angular momentum, while paramagnetic
transition metals provide spin. Here we are creating new transition metal bismuth
interactions and probing their magnetic properties. Research on Fe-Bi
compounds will be presented, with an emphasis on unusual magnetic and
spectroscopic approaches to probe these materials.

Livestreaming at 10:00 AM (CT) THURS., October 21, 2021

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The next edition of the APS Topical Group on Shock Compression of Condensed Matter (GSCCM) virtual seminar series; information on the seminar and how to join are below.

Shock Physics is widely described as a multi-disciplinary area with strong connections to Physics, Chemistry, Materials Science, Computing and many Engineering disciplines. The depth of understanding of different material classes along with the ability to predict the dynamic and shock response of materials varies markedly. The behaviour of metals is widely reported, the level of detail is very deep, challenges exist but there is a strong and wide range of expertise. Polymers are increasingly understood and insights into the marked effects of temperature and strain rate are being developed into a range of predictive material models. Biological materials and systems are amongst the least studied or understood, there large areas still to be addressed.

You are invited to a Zoom webinar.
When: Sep 14, 2021 12:00 PM Eastern Time (US and Canada)
Topic: GSCCM Virtual Seminar by Dr. Bill Proud

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Congratulations to Livermore’s Brad Wallin for his selection as LLNL Principal Associate Director for Weapons and Complex Integration (WCI):

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## Dynamic Materials Science at High Brilliance X-ray Light Sources Heading link

Dr. Dana M. Dattelbaum
Los Alamos National Laboratory

Tuesday, August 10, 2021 at 12:00 PM Eastern Time

High brilliance x-ray light sources are undergoing a transformation both in the U.S. and abroad, with facilities such as the Linac Coherent Light Source (LCLS) and Advanced Photon Source (APS) undergoing upgrades. Within NNSA, the brilliance and pulse structure of many of these sources provide an opportunity to study materials dynamics under extreme conditions of high pressures, temperatures, and strain rates. In many instances, the data obtained from x-ray diffraction and scattering fill the “micron gap,” providing information on materials structures at the mesoscale, which are foundational to next generation materials physics models. Most of the measurements performed using time-resolved x-rays are setting new precedents in terms of the detailed physics and chemistry they have revealed; examples range from measurement of carbon clustering in high explosives to the dynamics of solid-solid and melt transformations in metals under shockwave compression. In this presentation, I will provide examples from Los Alamos’ portfolio in dynamic materials science at U.S. light sources, providing several examples of recent work on low-Z materials using x-ray scattering, diffraction, and imaging. Lastly, information on a recent tri-lab response to NNSA of recommendations for future investments at U.S. light sources will also be provided.

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## Openings for UIC Postdoctoral Positions in Experimental High-Pressure Materials Sciences Heading link

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Congratulations to CDAC Partner (and former CDAC student) Susannah Dorfman on her promotion from Assistant Professor to Associate Professor with tenure at Michigan State University! Linkedin

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Please join us for the next edition of the APS Topical Group on Shock Compression of Condensed Matter (GSCCM) virtual seminar series; information on the seminar and how to join are below. We would like to solicit nominations for future seminars and anticipate having a mix of a single speaker or two speakers during an hour time slot. Please email your nominations to Tracy Vogler (tjvogle@sandia.gov). Information on upcoming and past speakers can be found on the APS website. Recordings of some past seminars will also be available there.

GSCCM Virtual Seminar Series Organizing Committee
Minta Akin, Dana Dlott, Dan Eakins, Christopher “Kit” Neel, Laura Smilowitz, and Tracy Vogler

Stressing So Much That Defects Don’t Matter
Professor Neil Bourne
The University of Manchester (U.K.)

Tuesday, June 8, 2021 at 12:00 PM Eastern Time
Wouldn’t it be marvellous to live in world where we knew that matter had a single strength so that response could be predicted precisely and damage could be avoided? In our daily lives, failures can occur in people, organisations or structures when stresses mount to a point that the weakest link fails and local collapse ensues. However, matter has a limiting strength beyond which varied behaviours at lower compression change to uniform flow in the regime beyond. This threshold also opens a state in which materials transform their electronic states, change conductivity and transparency and emit radiation. That response above this threshold is predictable, allows extreme engineering to precede with less risk of failure than in the defective world in which we live. We shall explore these behaviours and discuss applications for this framework going forward.

You are invited to a Zoom webinar.
When: June 8, 2021 12:00 PM Eastern Time (US and Canada)
Topic: GSCCM Seminar by Professor Neil Bourne
Passcode: 521974

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## Accidental synthesis of a previously unknown quasicrystal in the first atomic bomb test Heading link

This article reports the discovery of a heretofore unknown icosahedral quasicrystal created by the detonation of the first nuclear device at Alamogordo, NM, on 16 July 1945 (the Trinity test). Like all quasicrystals, the new example violates crystallographic symmetry rules that apply to ordinary (periodic) crystals. It was found in a sample of red trinitite, a combination of glass fused from natural sand and anthropogenic copper from transmission lines used during the test. The new quasicrystal is the oldest extant anthropogenic quasicrystal known, whose place and moment of origin are known from the historic records of the Trinity test. The thermodynamic/shock conditions that formed it are roughly comparable to those that formed natural quasicrystals recently found in meteorites.

L. Bindi et al., PNAS June 1, 2021 118 (22) e2101350118; https://doi.org/10.1073/pnas.2101350118

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## Atomic-scale mixing between MgO and water in the deep interiors of water-rich planets Heading link

Water-rich planets exist in our Solar System (Uranus and Neptune) and are found to be common in the extrasolar systems (some of the sub-Neptunes).  In conventional models of these planets a thick water-rich layer is underlain by a separate rocky interior. Here we report experimental results on two rock-forming minerals, olivine ((Mg,Fe)2SiO4) and ferropericlase ((Mg,Fe) O), in water at the pressure and temperature conditions expected for the water-rich planets. Our data indicate a selective leaching of MgO, which peaks between 20 and 40 GPa and above 1,500 K. For water-rich planets with 1–6 Earth masses (>50 wt% H2O), the chemical reaction at the deep water–rock interface would lead to high concentrations of MgO in the H2O layer. For Uranus and Neptune, the top ~3% of the H2O layer would have a large storage capacity for MgO. If an early dynamic process enables the rock–H2O reaction, the topmost H2O layer may be rich in MgO, possibly affecting the thermal history of the planet.

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## High pressure Laue diffraction at High Pressure Collaborative Access Team (HPCAT) Heading link

Date: Monday, May 24, 2021 – 2pm (CDT)
Speaker: Dmitry Popov, (HPCAT-XSD, Argonne National Laboratory)
Title: High pressure Laue diffraction at High Pressure Collaborative Access Team (HPCAT)
Abstract:

Laue diffraction technique is a powerful tool to investigate mechanisms of pressure induced processes including phase transitions, deformation, recrystallization, chemical reactions and so on. Experimental setup specifically optimized for in-situ and en-operando Laue diffraction studies in diamond anvil cells (DACs) is available for user operation at 16BMB beamline. Data collection and analysis routines implemented with the setup will be presented in details along with some recent scientific examples.

HPCAT organizes a High Pressure Special Interest Group Meeting each month. The meeting is held in the Conference room at building 434

*Note – Meetings will be held in a virtual format until further notice.  If you’d like to be added to the announcement email list, send a request to fhumble@anl.gov

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## Q&A: Lawrence Livermore director Kimberly Budil on the evolving nuclear weapons enterprise Heading link

Named as the director of Lawrence Livermore National Laboratory in March, Kimberly Budil now leads a workforce of approximately 7400 employees and manages an annual operating budget of about \$2.7 billion. She is the first woman to lead the California facility and the second to head a US nuclear weapons laboratory.

Budil previously served as Livermore’s principal associate director for weapons and complex integration. She came to the lab in 1987 as a graduate student in laser programs, and she has worked in the lab’s National Ignition Facility (NIF), global security, and physical and life sciences programs. She has been detailed twice to DOE and was vice president for national laboratories at the University of California, which comanages Lawrence Livermore, Los Alamos, and Lawrence Berkeley National Laboratories. She holds a PhD in engineering and applied science from the University of California, Davis, and a bachelor’s in physics from the University of Illinois at Chicago. Physics Today spoke with Budil last month.

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## Classical chemical kinetics in shock physics: Rate constants, order and applications in initiation and detonation Heading link

Dear Colleagues,

Please join us for the next edition of the APS Topical Group on Shock Compression of Condensed Matter (GSCCM) virtual seminar series; information on the seminar and how to join are below. We would like to solicit nominations for future seminars and anticipate having a mix of a single speaker or two speakers during an hour time slot. Please email your nominations to Tracy Vogler (tjvogle@sandia.gov). Information on upcoming and past speakers can be found on the APS website; recordings of some past seminars will also be available there.

GSCCM Virtual Seminar Series Organizing Committee
Minta Akin, Dana Dlott, Dan Eakins, Christopher “Kit” Neel, Laura Smilowitz, and Tracy Vogler

Classical chemical kinetics in shock physics: Rate constants, order and applications in initiation and detonation
Dr. Bryan Henson
Los Alamos National Laboratory

Tuesday, May 18, 2021 at 12:00 PM Eastern Time

Work has been ongoing in our group to produce globalized chemistry models of thermal ignition for secondary explosives valid over the entire temperature range of energetic response from thermal ignition by direct heating to detonation. We have made considerable progress recently, resulting in both the first broadly accurate global chemistry models of this type and the possible identification of a crucial component of the chemical mechanism governing the initial decomposition of the crystalline solid. We show that this initial component is based on the condensed phase thermodynamics of the explosive. We further show that it is a common feature of several members of the class of secondary explosives, and may constitute a fundamental, defining aspect of the insensitivity of this family of explosives. In this talk we present models for 1,3,5,7-octahydro-1,3,5,7-tetranitro-tetrazocine (HMX), 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and 1,3-propanediol-2,2-bis[(nitrooxy)methyl]-tetranitrate (PETN), defined over the temperature range spanning 150 to 2500 C. We will also present a number of applications of these models to problems of ignition, initiation and detonation in these materials.

Click below to join the webinar at the specified time and date or use Webinar ID: 992 5275 7985
Passcode: 571084
Join Webinar
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You are invited to a Zoom webinar.
When: May 18, 2021 12:00 PM Eastern Time (US and Canada)
Topic: GSCCM Seminar by Dr. Bryan Henson
Passcode: 571084
Or One tap mobile :
US: +13017158592,,99252757985# or +19294362866,,99252757985# Or Telephone:
Dial (for higher quality, dial a number based on your current location): US: +1 301 715 8592 or +1 929 436 2866 or +1 312 626 6799 or +1 346 248 7799 or +1 669 900 6833 or +1 253 215 8782
Webinar ID: 992 5275 7985
International numbers available.

## 60th Anniversary of the Discovery of 'Dense Silica': Stishovite Heading link

Sixty years ago today, April 19, 1961, Sergei Stishov — then a graduate student at Moscow State University — together with Svetlana Popova first identified silica in the rutile-type structure from x-ray diffraction in high-pressure experiments, testing the hypothesis proposed a decade earlier about the high-pressure behavior of the common mineral quartz.

Upon learning about the discovery, Edward Chao of the U.S. Geological Survey found that their reported x-ray diffraction pattern matched that of material he had collected on the shocked Coconino sandstone at Meteor Crater, Arizona. He and his colleagues quickly announced the finding and proposed that the mineral be named stishovite.

The discovery was a landmark in both high-pressure physics and studies of the Earth’s deep interior. The story — indeed the geopolitical back story — is recounted in a memoir that Stishov published in 1995.  Additional information and pictures, from the 50th Anniversary Celebration of the discovery in 2011, are here and here.

Academician Stishov is currently a Staff Member at the Lebedev Physical Institute of the Russian Academy of Sciences (RAS), and is the former Director of the Institute of High Pressure Physics of the RAS. He has held numerous visiting appointments in the U.S., including LANL starting in 1993, as well as Caltech, Berkeley, and Stony Brook.  Svetlana Popova, who passed away five years ago, was a long-time Staff Member at the Institute of High Pressure Physics.

## Neutrons -- Hard Diamonds, High Pressures, at the Spallation Neutron Source Heading link

March 1, 2021

Researchers at Oak Ridge National Laboratory’s Spallation Neutron Source have developed a diamond anvil pressure cell that will enable high-pressure science currently not possible at any other neutron source in the world.

Using the SNAP instrument, the team measured high-quality powder diffraction data on a material above 120 gigapascals, shattering the previously held record of 62 GPa for meaningful structural data.

What’s more, the tiny submillimeter-sized sample used in the experiment is likely the smallest neutron sample ever measured and yet is also one of the largest powder samples ever held at such a high static pressure.

While scientists have used X-ray powder diffraction at such pressures for decades, it was previously not possible using neutrons.

“This breakthrough enables new studies on the structures of high-pressure super-hydrides that exhibit room-temperature superconductivity. It even enables investigations into materials at earth-core pressure conditions,” said ORNL’s Bianca Haberl.

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