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HL-LHC Computing Review Stage 2, Common Software Projects: Data Science Tools for Analysis

This paper was prepared by the HEP Software Foundation (HSF) PyHEP Working Group as input to the second phase of the LHCC review of High-Luminosity LHC (HL-LHC) computing, which took place in November, 2021. It describes the adoption of Python and data science tools in HEP, discusses the likelihood of future scenarios, and recommendations for action by the HEP community.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Materials and devices for fundamental quantum science and quantum technologies

Technologies operating on the basis of quantum mechanical laws and resources such as phase coherence and entanglement are expected to revolutionize our future. Quantum technologies are often divided into four main pillars: computing, simulation, communication, and sensing & metrology. Moreover, a great deal of interest is currently also nucleating around energy-related quantum technologies. In this Perspective, we focus on advanced superconducting materials, van der Waals materials, and moiré quantum matter, summarizing recent exciting developments and highlighting a wealth of potential applications, ranging from high-energy experimental and theoretical physics to quantum materials science and energy storage.

Polini, Marco↗

Broadening the scope of Education, Career and Open Science in HEP

High Energy Particle Physics (HEP) faces challenges over the coming decades with a need to attract young people to the field and STEM careers, as well as a need to recognize, promote and sustain those in the field who are making important contributions to the research effort across the many specialties needed to deliver the science. Such skills can also serve as attractors for students who may not want to pursue a PhD in HEP but use them as a springboard to other STEM careers. This paper reviews the challenges and develops strategies to correct the disparities to help transform the particle physics field into a stronger and more diverse ecosystem of talent and expertise, with the expectation of long-lasting scientific and societal benefits.

Malik, Sudhir↗

Do Scientists Need Mitigating Agents and Who is Responsible for Providing Them? Musings on Vučković and Sikimić’s ‘How to Fight Linguistic Injustice in Science’.

The recent paper by Aleksandra Vučković and Vlasta Sikimić delves into an important issue for modern science and humanities fields: the linguistic privileges of native English speakers and perceived injustice toward non-native speakers when publishing research and participating in scientific events as well as the approaches to relieve the issue by introducing mitigating agents—scientists who will volunteer (or be assigned) to take on the task of solving the language problems of their colleagues. The authors touched upon a sensitive issue that resonates with numerous people far beyond the scientific context.

Pronskikh, Vitaly Stanislavovich↗

Towards a Software Development Framework for Interconnected Science Ecosystems

The innovative science of the future must be multi-domain and interconnected to usher in the next generation of “self-driving” laboratories enabling consequential discoveries and transformative inventions. Such a disparate and interconnected ecosystem of scientific instruments will need to evolve using a system-of-systems (SoS) approach. The key to enabling application integration with such an SoS will be the use of Software Development Kits (SDKs). Currently, SDKs facilitate scientific research breakthroughs via algorithmic automation, databases and storage, optimization and structure, pervasive environmental monitoring, among others. However, existing SDKs lack instrument-interoperability and reusability capabilities, do not effectively work in an open federated architectural environment, and are largely isolated within silos of the respective scientific disciplines. Inspired by the scalable SoS framework, this work proposes the development of INTERSECT-SDK to provide a coherent environment for multi-domain scientific applications to benefit from the open federated architecture in an interconnected ecosystem of instruments. This approach will decompose functionality into loosely coupled software services for interoperability among several solutions that do not scale beyond a single domain and/or application. Furthermore, the proposed environment will allow operational and managerial inter-dependence while providing opportunities for the researchers to reuse software components from other domains and build universal solution libraries. We demonstrate this research for microscopy use-case, where we show how INTERSECT-SDK is developing the tools necessary to enable advanced scanning methods and accelerate scientific discovery.

Malviya, Addi Thakur↗

A Multi-scale, Geo-data Science Method for Assessing Unconventional Critical Mineral Resources

Critical minerals (CM) supply raw materials that constitute many of our essential infrastructure, defense, technology, and electrification needs. Currently, production and refinement of these materials from conventional sources is limited to few regions globally, which makes supply of these resources particularly venerable to disruption. To help overcome these risks and meet growing demand, attention has focused on identifying and developing resource potential of unconventional geologic CM sources, such as rare-earth elements in sedimentary systems. However, the unconventional nature of these types of sources means they are often poorly characterized and/or under-explored with respect to conventional counterparts. We present a regional case study for an Unconventional Rare-earth and Critical minerals (URC) assessment method for predicting and identifying REE resource potential and occurrence in unconventional systems in the Central Appalachian Basin (CAB). The method utilizes a geologic and geospatial data-driven approach, informed and guided by knowledge of REE enrichment processes, to systematically predict and identify areas of higher enrichment. Results from the test case indicate locations with potential for different types of coal-REE deposits, demonstrating its utility for reducing the area of exploration and identifying sites for more detailed investigation. Building upon the regional scale assessment capability, ongoing science-based enhancements to the method will allow for finer-scale (e.g., mine-scale) predictions required to support technical and economic assessments.

Creason, Christopher↗

Borehole Disposal: Update on the Science, Technology, and Potentially Suitable Radioactive Wastes - 20170

A recent Special Issue of the Energies Journal on Deep Borehole Disposal of Nuclear Waste has delivered a timely update on the science and technology of borehole disposal and the types of radioactive wastes it could potentially accommodate. The Special Issue papers discuss (i) circumstances under which a national waste management programme might wish to consider deep borehole disposal [1], (ii) a status report of deep borehole disposal options in Germany [2], (iii) the use of deep horizontal drill-holes in sedimentary, metamorphic or igneous rocks for disposal of spent nuclear fuel and high-level radioactive waste [3], (iv) the analysis of corrosion performance of engineered barrier systems [4], (v) a review of the potential cementing systems suitable for deep borehole disposal [5], (vi) the thermal evolution around heat-generating waste for a wide range of material properties and disposal configurations [6], (vii) a geochemical analysis of deep brines focussed on fluid-rock interactions [7], (viii) post-closure performance assessment calculations for deep borehole disposal of Cs/Sr capsules [8], and (ix) an example safety case for deep borehole disposal of nuclear wastes [9]. This paper provides an overview of the main findings from these publications and highlights some of the technological and scientific challenges that need to be overcome when developing a deep borehole disposal concept. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Application of wideband pulsed high-frequency EPR to molecular quantum spin science

This presentation provides an overview of a range of new applications in the area of molecular quantum spin science that are now possible at the US National High Magnetic Field Laboratory as a result of the development of a wideband, high-power 94 GHz pulsed EPR spectrometer. Here, this instrument allows true Fourier-transform detected experiments spanning a 1 GHz instantaneous bandwidth, akin to what has been possible in NMR for several decades. The presentation will begin by describing experiments on a nitroxide radical using chirped pulses, enabling acquisition of the full spectrum in a single sequence, thus providing a very efficient and convenient means to measure the field orientation dependence of the spin-lattice relaxation time, T 1 . This will be followed by a discussion of a coherent population transfer protocol involving the 2S + 1 = 8 Zeeman levels associated with the spin S = 7/2 Gd 3+ ion, potentially paving the way towards implementation of well-known quantum search algorithms. It will also be shown how the use of chirped pulses provides a route to achieving highly non-thermal spin populations, suggesting novel initialization schemes.

47 OTHER INSTRUMENTATION↗

Partnership for Radiation Studies (PaRS): A Consortium for Advancing Radiation Science among Underrepresented STEM Students

The Partnership for Radiation Studies (PaRS) consortium was recently awarded by U.S. Department of Energy’s National Nuclear Security Administration (NNSA). The five-year grant aims to increase the number of underrepresented students in STEM disciplines, with simultaneous advancement of nuclear radiation science. The goal is to hire more underrepresented minorities at national laboratories. The consortium’s progress will be tracked/reported annually. This paper and subsequent presentation cover details of the consortium, highlighting the key activities of participating national laboratories in assisting the minority-serving institutions.

Minority Serving Institutions Partnership Program,↗

Getting Technical: Introducing Students to Technical Concepts for Nuclear Science and Policy to Create and Encourage Diversity in the Nuclear Field

When discussing diversity, it is important to consider the many of the types of diversity: gender diversity, racial diversity, religious diversity, cultural diversity, and diversity in abilities. The nuclear field has recently seen a surge in the diversity within the entire industry, but there is still room for the industry to grow in those areas. Where does that begin? How does that develop? When is the right time to engage the next generation of nuclear professionals? What topics should be introduced to encourage and foster excitement in the nuclear field? These questions are all certainly important but narrowing in on the topics that should be introduced might prove to be a very effective way to grow excitement in and, then, diversity in the nuclear field. Students at all socioeconomic levels should be introduced to various technical concepts that correspond to the stage and level of education that is appropriate for those students. Oftentimes there may be a speaker at a school for certain ages that will provide an overview of the nuclear industry as a whole, or perhaps even specifics on what that person does, but rarely is the interaction carried on over a long period of time and rarely do presentations for these students introduce technical concepts. Creating new, effective volunteer programs in a wide range of schools in local areas where nuclear sciences are supported would allow professionals in the nuclear field to identify and focus on students whose aptitude might lean them towards future careers in the nuclear field. This paper will focus on potential, effective ways to start these programs, and it will identify a range of technical concepts that might be considered as age-appropriate or that can be molded to fit individual schools and would, in turn, begin to develop a diverse base of students to grow and enter the nuclear field.

Loftin, Bradley↗

Mid-Range Science Objectives for the Event Horizon Telescope

The first images of the black holes in Sagittarius A* and M87* have created a wide range of new scientific opportunities in gravitational physics, compact objects, and relativistic astrophysics. We discuss here the scientific opportunities that arise from the rich data sets that have already been obtained and the new data sets that will be obtained, exploiting a wide range of technical advances, including observational agility, receiver upgrades, and the addition of new stations. This document provides a 5-year framework for Event Horizon Telescope (EHT) science structured around four fundamental questions that are used to prioritize the analysis of existing data, guide technical upgrades, and determine the optimal use of future observational opportunities with EHT, ALMA, and multi-wavelength facilities. Through enhancements over this period, the EHT will create the first movie of M87* connecting black hole and jet physics, provide detailed studies of the structure and dynamics of Sgr A*, characterize the magnetospheres of both systems through polarimetric imaging, and explore the spacetime properties of black holes with greater precision and range.

79 ASTRONOMY AND ASTROPHYSICS↗

Ultrasonic Deterrents To Reduce Bat Mortality at Wind Turbines - Short Science Summary

In North America, several bat species commonly collide with operating turbines. Though the ultimate driver of collisions is unknown, studies suggest that bats may be attracted to turbines because they often approach and spend extended periods of time (seconds to minutes) interacting with turbine structures. To reduce bat mortality at wind farm operators, seek to reduce mortality rates by reducing the amount of time that bats interact with spinning turbine blades (or exposure). Current approaches to reduce exposure include curtailment, whereby turbine operators stop turbine rotors from spinning during periods when bats are expected to be at the highest risk of collision, and deterrent technologies that seek to discourage bats from entering/ limit the amount of time spent within the rotor swept area. We briefly describe the state of the science on ultrasonic deterrent technology, highlight potential drivers of variable efficacy for bat mortality reduction, and suggest next steps focus on identifying the driver(s) of such variability.

bats↗

Beyond the Hype: Navigating the Promise and Pitfalls of Multi-Modal Models for Materials Science

Multi-modal models offer great potential for accelerating discovery in materials and chemical systems, but their adoption raises crucial questions: What materials science challenges are best addressed by multi-modal approaches? How do we weigh the benefits against the resource investment required for multi-modal data acquisition? And critically, how can we optimize experimental workflows to leverage these models effectively? In this presentation, I will delve into the development of multi-modal characterization and analytics, focusing on their application in the demanding fields of next-generation microelectronics and energy storage materials. I will share challenges encountered in designing these workflows, highlighting lessons learned and posing questions that remain unanswered.

AI↗