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DOE OSTI2021

First Observation of the Four-Proton Unbound Nucleus 18 Mg

18 Mg was observed, for the first time, by the invariant-mass reconstruction of 14 O + 4p events. The ground-state decay energy and width are E T = 4.865(34) MeV and Γ = 115(100) keV, respectively. The observed momentum correlations between the five particles are consistent with two sequential steps of prompt 2p decay passing through the ground state of 16 Ne. The invariant-mass spectrum also provides evidence for an excited state at an excitation energy of 1.84(14) MeV, which is likely the first excited 2 + state. As this energy exceeds that for the 2 + state in 20 Mg, this observation provides an argument for the demise of the N = 8 shell closure in nuclei far from stability. Furthermore, in open systems this classical argument for shell strength is compromised by Thomas-Ehrman shifts.

6 ≤ A ≤ 19↗

DOE OSTI2020

Ground State and Hidden Symmetry of Magic-Angle Graphene at Even Integer Filling

In magic angle twisted bilayer graphene (TBG), electron-electron interactions play a central role, resulting in correlated insulating states at certain integer fillings. Identifying the nature of these insulators is a central question, and it is potentially linked to the relatively high-temperature superconductivity observed in the same devices. Here, we address this question using a combination of analytical strong-coupling arguments and a comprehensive Hartree-Fock numerical calculation, which includes the effect of remote bands. The ground state we obtain at charge neutrality is an unusual ordered state, which we call the Kramers intervalley-coherent (K-IVC) insulator. In its simplest form, the K-IVC order exhibits a pattern of alternating circulating currents that triples the graphene unit cell, leading to an “orbital magnetization density wave.” Although translation and time-reversal symmetry are broken, a combined “Kramers” time-reversal symmetry is preserved. Our analytic arguments are built on first identifying an approximate U⁡(4) × U⁡(4) symmetry, resulting from the remarkable properties of the TBG band structure, which helps select a low-energy manifold of states that are further split to favor the K-IVC state. This low-energy manifold is also found in the Hartree-Fock numerical calculation. We show that symmetry-lowering perturbations can stabilize other insulators and the semimetallic state, and we discuss the ground state at half-filling and give a comparison with experiments.

Bultinck, Nick↗

DOE OSTI2026

Narrowing down sources of high-frequency gravitational waves

Detecting gravitational waves above 100 kHz would constitute a major discovery, as any observable signal would have to arise from new physics within the late universe. Although many technologies have been identified to explore this high-frequency regime, the known landscape of promising sources remains extremely sparse. In this work, we aim to rectify this issue by providing model-independent arguments that highlight the most interesting parts of theory space, while remaining agnostic of the specific signal mechanism. For example, energy-conservation implies that gravitational waves detectable by future experiments well above a MHz would most likely have to originate from within the Solar System. Based on these arguments, we also constrain the physical properties of such sources.

Berlin, Asher [Fermilab] (ORCID:0000000211561482)↗

DOE OSTI2021

A Kinetic Monte Carlo Approach for Simulating Cascading Transmission Line Failure

In this work, cascading transmission line failures are studied through a dynamical model of the power system operating under fixed conditions. The power grid is modeled as a stochastic dynamical system where first-principles electromechanical dynamics are excited by small Gaussian disturbances in demand and generation around a specified operating point. In this context, a single line failure is interpreted in a large deviation context as a first escape event across a surface in phase space defined by line security constraints. The resulting system of stochastic differential equations admits a transverse decomposition of the drift, which leads to considerable simplification in evaluating the quasipotential (rate function) and, consequently, computation of exit rates. Tractable expressions for the rate of transmission line failure in a restricted network are derived from large deviation theory arguments and validated against numerical simulations. Extensions to realistic settings are considered, and individual line failure models are aggregated into a Markov model of cascading failure inspired by chemical kinetics. Cascades are generated by traversing a graph composed of weighted edges representing transitions to degraded network topologies. Numerical results indicate that the Markov model can produce cascades with qualitative power-law properties similar to those observed in empirical cascades.

Kinetic Monte Carlo, rare events, Cascading Failur↗

DOE OSTI2026

Quantum Time-Space Tradeoffs for Matrix Problems

We consider the time and space required for quantum computers to solve a wide variety of problems involving matrices, many of which have only been analyzed classically in prior work. Our main results show that for a range of linear algebra problems—including matrix-vector product, matrix inversion, matrix multiplication and powering—existing classical time-space tradeoffs, several of which are tight for every space bound, also apply to quantum algorithms with at most a constant factor loss. For example, for almost all fixed matrices 𝐴, including the discrete Fourier transform matrix, we prove that quantum circuits with at most 𝑇 input queries and 𝑆 qubits of memory require 𝑇 = Ω⁢(𝑛 2 /𝑆) to compute matrix-vector product 𝐴⁢𝑥 for 𝑥 ∈{0,1 𝑛 . We similarly prove that matrix multiplication for 𝑛 ×𝑛 binary matrices requires 𝑇 = Ω⁢(𝑛 3 /$\sqrt{𝑆}$). Because many of our lower bounds are matched by deterministic algorithms with the same time and space complexity, our results show that quantum computers cannot provide any asymptotic advantage for these problems with any space bound. We obtain matching lower bounds for the stronger notion of quantum cumulative memory complexity—the sum of the space per layer of a circuit. We also consider Boolean (i.e., AND-OR) matrix multiplication and matrix-vector products, improving the previous quantum time-space tradeoff lower bounds for 𝑛 × 𝑛 Boolean matrix multiplication to 𝑇 = Ω⁢(𝑛 2.5 /𝑆 1/4 ) from 𝑇 = Ω⁢(𝑛 2.5 /𝑆 1/2 ). Our improved lower bound for Boolean matrix multiplication is based on a new coloring argument that extracts more from the strong direct product theorem that was the basis for prior work. To obtain our tight lower bounds for linear algebra problems, we require much stronger bounds than strong direct product theorems. We obtain these bounds by adding a new bucketing method to the quantum recording-query technique of Zhandry that lets us apply classical arguments to upper bound the success probability of quantum circuits.

lower bounds↗

DOE OSTI2024

On interpretation of fluctuations of conserved charges at high T

Abstract Fluctuations of conserved charges calculated on the lattice which can be measured experimentally, are well reproduced by a hadron resonanse gas model at temperatures below$$T_{ch} \sim 155$$ T ch ∼ 155 MeV and radically deviate from the hadron resonance gas predictions above the chiral restoration crossover. This behaviour is typically interpreted as an indication of deconfinement in the quark-gluon plasma regime. We present an argument that this interpretation may be too simple. The argument is based on the scaling of quantities with the number of colors: demonstration of deconfinement and QGP requires observable that is sensitive to$$\sim N_c^2$$ ∼ N c 2 gluons while the conserved charges are sensitive only to quarks and above$$T_{ch}$$ T ch scale as$$N_c^1$$ N c 1 . The latter scaling is consistent with the existence of an intermediate regime characterized by restored chiral symmetry and by approximate chiral spin symmetry which is a symmetry of confining interaction. In this regime the energy density, pressure and entropy density scale as$$N_c^1$$ N c 1 . In the large$$N_c$$ N c limit this regime might become a distinct phase separated from the hadron gas and from QGP by phase transitions. A natural observable that associates with deconfinement and is directly sensitive to deconfined$$N_c^2-1$$ N c 2 - 1 gluons is the Polyakov loop; in the$$N_c=3$$ N c = 3 world it remains very close to 0 at temperatures well above chiral crossover, reaches the value$$\sim 0.5$$ ∼ 0.5 around$$\sim 3T_{ch}$$ ∼ 3 T ch and the value close to 1 at temperatures$$\sim 1$$ ∼ 1 GeV.

Physics↗

DOE OSTI2025

Deciphering spin-parity assignments of nuclear levels

Spin-parity assignments of nuclear levels are critical for understanding nuclear structure and reactions. However, inconsistent notation conventions and ambiguous reporting in research papers often lead to confusion and misinterpretations. Here, this paper examines the policies of the Evaluated Nuclear Structure Data File (ENSDF) and the evaluations by Endt and collaborators, highlighting key differences in their approaches to spin-parity notation. Sources of confusion are identified, including ambiguous use of strong and weak arguments and the conflation of new experimental results with prior constraints. Recommendations are provided to improve clarity and consistency in reporting spin-parity assignments, emphasizing the need for explicit notation conventions, clear differentiation of argument strengths, community education, and separate reporting of new findings. These steps aim to enhance the accuracy and utility of nuclear data for both researchers and evaluators.

Experimental Nuclear Physics↗

DOE OSTI2025

User-based I/O Profiling for Leadership Scale HPC Workloads

I/O constitutes a significant portion of most of the application run-time. Spawning many such applications concurrently on an HPC system leads to severe I/O contention. Thus, understanding and subsequently reducing I/O contention induced by such multi-tenancy is critical for the efficient and reliable performance of the HPC system. In this study, we demonstrate that an application’s performance is influenced by the command line arguments passed to the job submission. We model an application’s I/O behavior based on two factors: past I/O behavior within a time window and user-configured I/O settings via command-line arguments. We conclude that I/O patterns for well-known HPC applications like E3SM and LAMMP are predictable, with an average uncertainty below 0.25 (A probability of 80%) and near zero (A probability of 100%) within a day. However, I/O pattern variance increases as the study time window lengthens. Additionally, we show that for 38 users and at least 50 applications constituting approximately 93000 job submissions, there is a high correlation between a submitted command line and the past command lines made within 1 to 10 days submitted by the user. We claim the length of this time window is unique per user.

Yazdani, Ahmad Hossein [Virginia Tech, Blacksburg]↗

DOE OSTI2022

EAP Patterns

EAP Patterns: Memory access and iteration patterns from the EAP code base with the physics removed. This is intended to be a serial app representing memory access patterns. We will populate the data structures from EAP output files to provide representative patterns of face and cell loops within the EAP code base The arguments to the program are the EAP output file and the number of MPI processors to emulate. Currently there is no MPI in the application and the number of processors represents a means of emulating the halo (clone) cells around the domain of the given processor. An optional argument `processor_ID` can be provided to specify the processor to emulate. In the future we plan to include the ability to run multiple MPI ranks to more accurately represent the on-node demands on memory bandwidth.

Swaminarayan, Sriram↗

DOE OSTI2026

OpenStudio®-MCP [SWR-26-035]

OpenStudio®-MCP is a Model Context Protocol (MCP) server that lets AI assistants perform building energy modeling through natural language. Rather than requiring users to learn the OpenStudio® SDK, EnergyPlus® scripting, or Ruby/Python automation, the server translates conversational requests into sequences of tool calls that create models, design HVAC systems, run simulations, and extract results — all within a single chat session. The server's 124 tools are organized into a skills architecture where each skill encapsulates a domain of building energy modeling (envelope, HVAC, loads, weather, simulation, results) behind typed, LLM-friendly interfaces. High-leverage operations like applying ASHRAE 90.1 baseline systems or generating standards-compliant typical buildings are exposed as single tool calls that internally wire dozens of OpenStudio® objects. Bundled measures from ComStock™ and Openstudio® -common-measures-gem are wrapped with dedicated tools and typed arguments rather than exposed through a generic measure interface, so AI models get consistent, error-resistant recipes without needing to discover measure arguments at runtime. A key design decision is structured results extraction: six SQL-based tools return surgical ~300–1,000 token responses (end-use breakdowns, envelope summaries, HVAC sizing, timeseries data) instead of requiring the AI to parse ~100K-token raw HTML reports, making iterative design exploration practical within context window limits. The codebase is designed as a reference implementation — explicit, well-commented, and modular — so that other simulation engines (EnergyPlus® standalone, TRNSYS, DOE-2) can use it as a template for building their own MCP servers.

Ball, Brian [National Laboratory of the Rockies (N↗

DOE OSTI2023

Evidence of Mixed Scaling for Mean Profile Similarity in the Stable Atmospheric Surface Layer

A new mixed scaling parameter Z = z/(Lh)1/2 is proposed for similarity in the stable atmospheric surface layer, where z is the height, L is the Obukhov length, and h is the boundary layer depth. In comparison with the parameter ζ = z/L from Monin–Obukhov similarity theory (MOST), the new parameter Z leads to improved mean profile similarity for wind speed and air temperature in large-eddy simulations. It also yields the same linear similarity relation for CASES-99 field measurements, including in the strongly stable (but still turbulent) regime where large deviations from MOST are observed. Results further suggest that similarity for turbulent energy dissipation rate depends on both Z and ζ. The proposed mixed scaling of Z and relevance of h can be explained by physical arguments related to the limit of z-less stratification that is reached asymptotically above the surface layer. The presented evidence and fitted similarity relations are promising, but the results and arguments are limited to a small sample of idealized stationary stable boundary layers. Here, corroboration is needed from independent datasets and analyses, including for complex and transient conditions not tested here.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

The DPG Method for the Convection-Reaction Problem, Revisited

In this work, we study both conforming and non-conforming versions of the practical DPG method for the convection-reaction problem. We determine that the most common approach for DPG stability analysis – construction of a local Fortin operator – is infeasible for the convection-reaction problem. We then develop a line of argument based on a direct proof of discrete stability; we find that employing a polynomial enrichment for the test space does not suffice for this purpose, motivating the introduction of a (two-element) subgrid mesh. The argument combines mathematical analysis with numerical experiments.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

The DPG Method for the Convection-Reaction Problem Revisited

We study both conforming and non-conforming versions of the practical DPG method for the convection-reaction problem. We determine that the most common approach for DPG stability analysis (construction of a local Fortin operator) is infeasible for the convection-reaction problem. We then develop a line of argument based on the direct construction of a global Fortin operator; we find that employing a polynomial enrichment for the test space does not suffice for this purpose, motivating the introduction of a (two-element) subgrid mesh. The argument combines mathematical analysis with numerical experiments

42 ENGINEERING↗

DOE OSTI2020

Coproduction of Light and Heavy r-process Elements via Fission Deposition

We apply for the first time fission yields determined across the chart of nuclides from the macroscopic-microscopic theory of the Finite Range Liquid Drop Model to simulations of rapid neutron capture (r-process) nucleosynthesis. With the fission rates and yields derived within the same theoretical framework utilized for other relevant nuclear data, our results represent an important step toward self-consistent applications of macroscopic-microscopic models in r-process calculations. The yields from this model are wide for nuclei with extreme neutron excess. We show that these wide distributions of neutron-rich nuclei, and particularly the asymmetric yields for key species that fission at late times in the r process, can contribute significantly to the abundances of the lighter heavy elements, specifically the light precious metals palladium and silver. Since these asymmetric yields correspondingly also deposit into the lanthanide region, we consider the possible evidence for coproduction by comparing our nucleosynthesis results directly with the trends in the elemental ratios of metal-poor stars rich in r-process material. We show that for r-process enhanced stars palladium over europium and silver over europium display mostly flat trends suggestive of coproduction and compare to the lanthanum over europium trend which is often used to justify robustness arguments in the lanthanide region. We find that such robustness arguments may be extendable down to palladium and heavier and demonstrate that fission deposition is a mechanism by which such a universality or robustness can be achieved.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Complexity-theoretic foundations of BosonSampling with a linear number of modes

BosonSampling is the leading candidate for demonstrating quantum computational advantage in photonic systems. While we have recently seen many impressive experimental demonstrations, there is still a formidable distance between the complexity-theoretic hardness arguments and current experiments. One of the largest gaps involves the ratio of {particles} to modes -- all current hardness evidence assumes a dilute regime in which the number of linear optical modes scales at least quadratically in the number of particles. By contrast, current experiments operate in a saturated regime with a linear number of modes. In this paper we bridge this gap, bringing the hardness evidence for experiments in the saturated regime to the same level as had been previously established for the dilute regime. This involves proving a new worst-to-average-case reduction for computing the Permanent which is robust to both large numbers of row repetitions and also to distributions over matrices with correlated entries. We also apply similar arguments to give evidence for hardness of Gaussian BosonSampling in the saturated regime.

Computational Complexity (cs.CC)↗

DOE OSTI2024

Can an Efficient Nuclear Energy Industry Still be Resilient? On the Nature of Efficiency and Resiliency in Complex Systems

At the time of writing, the nuclear industry is on the precipice of a long-hoped for, but as-yet-unrealized, “nuclear renaissance.” Nuclear power plants in the United States and around the globe are aging, emphasizing the criticality of this moment. The importance of carbon free power sources combined with advancements in nuclear technology and innovation have brought a new potential landscape. As existing reactors and utilities cope with increased economic pressure by seeking out efficiencies the push towards novel nuclear platforms like microreactors and fission batteries will only increase this quest for efficiency gains, potentially at the detriment of safety. This paper argues that the concepts of efficiency and resiliency are fundamentally linked and that the change in one necessarily affects the other. As nuclear power is known for being incredibly resilient, this dichotomy needs attention from the current wave of research towards nuclear power efficiencies. This paper argues for resiliency at any cost. We argue that this resilience-first approach is the right path for nuclear power to take in this net-zero future. The paper is laid out as follows. Section 1 introduces the economic context and resilient nature of nuclear power. Section 2 discusses efficiency, resiliency, and the struggle between the two in nuclear power. Section 3 exemplifies our argument through case studies in the aviation and manufacturing industries and extends the argument to the nuclear industry. Section 4 concludes with a discussion of the implications of this idea.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Safety Assurance Framework for Nuclear Digital Instrumentation and Control Software

Software in digital instrumentation and control (D&C) systems poses unique challenges for the safety assurance of nuclear power plants. Through a literature survey of 21 sources, we analyzed various claims, arguments, and evidence used in safety assurance cases across industries. These were organized into a Goal Structuring Notation (GSN) safety assurance case framework to organize and visualize the various arguments for DI&C safety. We developed a classification for the levels of the framework, which can be used in other safety assurance cases to improve clarity.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2020

A New Family of Proton‐Conducting Electrolytes for Reversible Solid Oxide Cells: BaHf x Ce 0.8− x Y 0.1 Yb 0.1 O 3− δ

Abstract Reversible solid oxide cells based on ceramic proton conductors have potential to be the most efficient system for large‐scale energy storage. The performance and long‐term durability of these systems, however, are often limited by the ionic conductivity or stability of the proton‐conducting electrolyte. Here new family of solid oxide electrolytes, BaHf x Ce 0.8− x Y 0.1 Yb 0.1 O 3− δ (BHCYYb), which demonstrate a superior ionic conductivity to stability trade‐off than the state‐of‐the‐art proton conductors, BaZr x Ce 0.8− x Y 0.1 Yb 0.1 O 3− δ (BZCYYb), at similar Zr/Hf concentrations, as confirmed by thermogravimetric analysis, Raman, and X‐ray diffraction analysis of samples over 500 h of testing are reported. The increase in performance is revealed through thermodynamic arguments and first‐principle calculations. In addition, lab scale full cells are fabricated, demonstrating high peak power densities of 1.1, 1.4, and 1.6 W cm −2 at 600, 650, and 700 °C, respectively. Round‐trip efficiencies for steam electrolysis at 1 A cm −2 are 78%, 72%, and 62% at 700, 650, and 600 °C, respectively. Finally, CO 2 H 2 O electrolysis is carried out for over 700 h with no degradation.

Murphy, Ryan↗