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DOE OSTI2024

COG User's Manual: A Multiparticle Monte Carlo Transport Code (Sixth Edition)

COG is a high-resolution code for the Monte Carlo simulation of coupled particle transport in arbitrary 3-D geometry. COG will transport neutrons, protons, deuterons, alpha particles with energies up to hundreds of GeV, and photons with energy ranges limited by the available cross section sets and physics models. Electrons can be transported via the EGS5 electron transport kernel, electrons can also be transported. The COG code is a significant upgrade from earlier Monte Carlo transport codes and has been written specifically to make it more versatile, accurate, and easy to use. COG has provisions for calculating deep penetration (shielding) problems, criticality problems, and neutron activation problems while retains all of the standard capabilities found in other Monte Carlo transport codes. COG uses high-resolution pointwise cross-section databases and makes no compromises in the transport physics, so that the results of a COG run are limited only by the accuracy of the databases used. COG runs primarily on Linux Operating System workstations with MPICH software installed – currently, Red Hat 7 & 8, Windows 10 (Windows Subsystem for Linux –WSL), Ubuntu 16, 18 & 20, OpenSUSE Leap 15.2, Fedora 32, Apple Power Mac with Intel CPU (with MacPorts installed) workstations, and LLNL LC supercomputer CTS-1 cluster with TOSS 3 are supported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Methodology for Evaluating Commercial Energy Code Updates

This document lays out the Department of Energy’s (DOE’s) methodology for evaluating the cost-effectiveness of energy code and standard proposals and editions. The evaluation is applied to new provisions or editions of ANSI/ASHRAE/IES Standard 90.1 and the International Energy Conservation Code. The methodology follows standard lifecycle cost (LCC) economic analysis procedures. A cost-effectiveness evaluation requires three steps: 1) evaluating the energy and energy cost savings of code changes; 2) evaluating the incremental and replacement costs related to the changes; and 3) determining the cost-effectiveness of energy code changes based on those costs and savings over time.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Methodology for Evaluating Energy Savings, Cost-Effectiveness, and Societal Impacts of Commercial Energy Code Changes

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

Pennsylvania and Delaware Energy Code Field Studies (Final Technical Report (FTR)

Led by Northeast Energy Efficiency Partnerships (NEEP) in partnership with Performance Systems Development (PSD), the project aimed to conduct energy code compliance field studies for single-family residential buildings in Pennsylvania and Delaware, as well as multifamily and commercial buildings in Pennsylvania. Using U.S. Department of Energy (DOE) approved methodologies, trained field teams conducted on-site observations and testing to document compliance with key energy efficiency measures, including building envelope insulation, air sealing, duct leakage, windows, and mechanical systems. Data from these studies would then be analyzed to identify construction trends and compliance gaps. The goals included published baseline data for each study, and a training roadmap tailored to each state’s needs. This roadmap would have guided outreach and training for builders, code officials, and other stakeholders on the specific code requirements that offered the greatest opportunity for improvement.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Validation of electron backscattering in the MCNP6.3 code

A new electron backscattering validation suite has been developed for the MCNP® code. The calculations in this suite cover both condensed history and single-event transport methods, seven different elemental materials ranging from beryllium to uranium, and incident electron energies from 200 eV to 14.1 MeV. In general, the accuracy of the MCNP code for electron backscattering calculations is energy-dependent. For incident electron energies below 2 keV, the condensed history method is not applied while the single-event method shows poor agreement with experimental measurements due to poor accuracy of the underlying atomic data. For incident energies between 2 keV and 256 keV, the single-event method typically shows better agreement with experiments, while for incident energies above 256 keV the condensed history method gives better accuracy. Additionally, agreement with experimental data is generally worse for low- Z materials such as beryllium and carbon, which may reflect deficiencies in the data or physics underlying electron transport through light elements in the MCNP code. The new electron backscattering validation suite, along with the previously introduced electron stopping power and Lockwood energy deposition validation suites, provide MCNP users with a quantified understanding of the uncertainties in electron transport calculations. Future improvements to electron transport in the MCNP code are necessary for low energies (≤ 2 keV) and for low- Z materials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Acceleration of the particle-in-cell code Osiris with graphics processing units

Fully relativistic particle-in-cell (PIC) simulations are crucial for advancing our knowledge of plasma physics. Modern supercomputers based on graphics processing units (GPUs) offer the potential to perform PIC simulations of unprecedented scale, but require robust and feature-rich codes that can fully leverage their computational resources. In this work, this demand is addressed by adding GPU acceleration to the PIC code Osiris. An overview of the algorithm, which features a CUDA extension to the underlying Fortran architecture, is given. Detailed performance benchmarks for thermal plasmas are presented, which demonstrate excellent weak scaling on NERSC's Perlmutter supercomputer and high levels of absolute performance. The robustness of the code to model a variety of physical systems is demonstrated via simulations of Weibel filamentation and laser-wakefield acceleration run with dynamic load balancing. Finally, measurements and analysis of energy consumption are provided that indicate that the GPU algorithm is up to ~14 times faster and ~7 times more energy efficient than the optimized CPU algorithm on a node-to-node basis. The described development addresses the PIC simulation community's computational demands both by contributing a robust and performant GPU-accelerated PIC code and by providing insight into efficient use of GPU hardware.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Status of Mercury and Imp: Two Monte Carlo Transport Codes Developed Using Shared Infrastructure at Lawrence Livermore National Laboratory

The Monte Carlo Transport Project at Lawrence Livermore National Laboratory develops two Monte Carlo transport codes used in production by a sizable internal user community. Mercury is a Monte Carlo particle transport code used to model the interaction of neutrons, gammas, and light ions with a material. Imp is an implicit Monte Carlo thermal x-ray photon transport code used to model the interaction of x-ray photons with a material. This paper describes the two codes and highlights recent developments.

Pozulp, Michael↗

DOE OSTI2025

Simulation of an inductively coupled plasma with a two-dimensional Darwin particle-in-cell code

A two-dimensional particle-in-cell code for the simulation of low-frequency electromagnetic processes in laboratory plasmas has been developed. The code uses the Darwin method omitting the electromagnetic wave propagation. The Darwin method separates the electric field into solenoidal and irrotational parts. The solenoidal electric field is calculated with a new algorithm based on the equation for the electric field vorticity. The system of linear equations in the new algorithm is readily solved using a standard iterative method. The irrotational electric field is the electrostatic field calculated with the direct implicit algorithm. The code is verified by reproducing the two-stream instability, electron electromagnetic waves, and shear Alfvén waves. The code is applied to simulate an inductively coupled plasma with the driving current flowing around the plasma region. In this simulation, a ring of dense plasma forms at the initial stage but then the density becomes maximal in the center and decays monotonically toward the walls. The skin effect is in the transitional mode between local and non-local, and the electron velocity distribution function is non-Maxwellian.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Structural Design and Modeling of MARVEL Primary Coolant System Using the ASME Section III, Division 5, Code

This paper presents the structural design and supporting analysis for the Microreactor Applications Research Validation and Evaluation (MARVEL) primary coolant system (PCS) using the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code Section III, Division 5, rules. MARVEL is a liquid metal–cooled microreactor intended to provide experimental capabilities for the rapid testing and development of microreactor technologies. The PCS utilizes high-temperature sodium-potassium liquid metal as the primary coolant and operates at a design temperature of 570°C, necessitating the consideration of creep-related failure mechanisms. The base metal for the PCS is 316H stainless steel, and the weldments are made with a 16-8-2 filler. The design approach incorporates the current base code rules along with ASME code cases N-924, N-861, and N-862 to address primary load, ratcheting, and creep-fatigue evaluations, respectively. The reactor’s operation involves complex thermal and mechanical interactions due to natural convective flow and differential thermal expansion between components. In conclusion, this paper discusses the structural engineering challenges encountered, such as managing thermal stresses in the distribution plenum and guard vessel, and outlines the strategies implemented to meet the code requirements, including design modifications and operational constraints.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

DOE OSTI2024

Majorana subsystem qubit codes that also correct odd-weight errors

Abstract A potential platform for topological quantum computation is the Majorana-based tetron architecture. Its building blocks are superconducting islands called tetrons, which host four Majorana zero modes. Existing error correcting codes can correct even-weight errors on tetrons. In a previous proposal by us, we had shown that incorporating tetrons in the stabilizer group allows us to correct a combination of odd-weight errors and even-weight errors on tetrons. In this work, we show that inclusion of tetrons in the gauge group lets us create subsystem codes from conventional Pauli stabilizer codes, which can correct both kinds of errors. Compared to the previous approach, the current approach lets us construct codes with fewer stabilizer generators. This leads to shorter fault-tolerant sequence length, and improves the fault-tolerant pseudothreshold by as much as 84%.

Physics↗

DOE OSTI2025

Covariant Quantum Error-Correcting Codes with Metrological Entanglement Advantage

Here, we show that a subset of the basis for the irreducible representations of a tensor-product SU(2) rotation forms a covariant approximate quantum error-correcting code with transversal U(1) logical gates. Generalizing previous work on “thermodynamic codes” to general local spin and different irreducible representations using only properties of the angular momentum algebra, we obtain bounds on the code inaccuracy under generic noise on any known 𝑑 sites, under independent and identically distributed noise, and under heralded 𝑑-local erasures. We demonstrate that this family of codes protects a probe state with quantum Fisher information surpassing the standard quantum limit when the sensing parameter couples to the generator of the U(1) logical gate.

quantum error correction↗

DOE OSTI2025

Constant-Overhead Fault-Tolerant Bell-Pair Distillation Using High-Rate Codes

We present a fault-tolerant Bell-pair distillation scheme achieving constant overhead through high-rate quantum low-density parity-check (qLDPC) codes. Our approach maintains a constant distillation rate equal to the code rate while requiring no additional overhead beyond the physical qubits of the code. Full circuit-level analysis demonstrates fault-tolerance for input Bell-pair infidelities below a threshold ∼10%, readily achievable with near-term capabilities. Unlike previous proposals, our scheme keeps the output Bell pairs encoded in qLDPC codes at each node, eliminating unencoding overhead and enabling direct use in distributed quantum applications through recent advances in qLDPC computation. These results establish qLDPC-based distillation as a practical route toward resource-efficient quantum networks and distributed quantum computing.

quantum communication, protocols & technology↗

DOE OSTI2025

Towards Automated Reasoning Chains for Verification of LLM-Generated Scientific Code

With the rise of Large Language Model (LLM) generated code, including in domains like scientific computing, ensuring not only syntactical, but also mathematical correctness, has become a critical task. Traditional formal methods approaches often struggle with the ambiguity of floating-point code, and full symbolic execution is extremely costly and limited. We propose a chain-of-reasoning approach that iteratively lifts basic semantics from code into the SPIRAL system and then establishes numerical equivalency to the desired mathematical operation. Here, we leverage the ample mathematical knowledge already formalized in SPIRAL to enable the system to recognize not just different implementations of the same algorithm but fully separate approaches to solving the given problem. The chain establishes tight error bounds on the output of given code with respect to the true continuous solution it approximates, quantifying all sources of error. We demonstrate this approach by establishing the correctness of a pseudospectral solver for a simple 1-dimensional Poisson problem.

Oschatz, Quentin [Carnegie Mellon University,Pitts↗

DOE OSTI2025

Code Verification of Multiple Physics-Fidelity Models in Hypersonic Aerodynamics

Hypersonic aerodynamics models exist across a range of physics fidelities with associated computational expenses. These models may be run independently or in a multifidelity framework that leverages their complementary strengths of speed for lower-fidelity and accuracy for higher-fidelity models. This work presents applied code verification of two lower-fidelity models contained within the Sandia hypersonic aerodynamics code. Each model has a different form that requires individualized verification approaches, including comparison to analytical solutions as well as manufactured solutions with order-of-accuracy testing. In conclusion, results of this effort include the identification and resolution of code errors and shortcomings, as well as the demonstration of code correctness and consistency for both models.

Aerodynamics↗

DOE OSTI2025

QECC-Synth: A Layout Synthesizer for Quantum Error Correction Codes on Sparse Architectures

Quantum Error Correction (QEC) codes are essential for achieving fault-tolerant quantum computing (FTQC). However, their implementation faces significant challenges due to disparity between required dense qubit connectivity and sparse hardware architectures. Current approaches often either underutilize QEC circuit features or focus on manual designs tailored to specific codes and architectures, limiting their capability and generality. In response, we introduce QECC-Synth, an automated compiler for QEC code implementation that addresses these challenges. We leverage the ancilla bridge technique tailored to the requirements of QEC circuits and introduces a systematic classification of its design space flexibilities. We then formalize this problem using the MaxSAT framework to optimize these flexibilities. Evaluation shows that our method significantly outperforms existing methods while demonstrating broader applicability across diverse QEC codes and hardware architectures.

Yin, Keyi [University of California, San Diego]↗

DOE OSTI2026

Exploring Sustainability in Scientific Software through Code Quality & Test Coverage Metrics

Context: Scientific open-source software (SciOSS) plays a foundational role in research and engineering, yet its long-term sustainability has often been overlooked and remains a significant concern. Objective: This study investigates the long-term sustainability of SciOSS through code and test quality metrics. Method: We analyze CASS Software Portfolio projects, classifying them by sustainability and comparing their code structure, test coverage, and links between code quality and testing across the dataset. Results: Sustainable projects show higher, more consistent test coverage and clearer code-test correlations, while unsustainable ones show weaker patterns. Overall, test coverage is low in scientific software, and high complexity and coupling reduce testability. Conclusion: In this study, we present a practical, data-driven approach for assessing sustainability in scientific software, offering a foundation for evaluating long-term software health and supporting future efforts in quality assurance and sustainability monitoring.

Md mushfiqur rahman, Sheikh [University of Tenness↗

DOE OSTI2026

INtegrated Fluid & paRticles simulatioN cOde (INF&RNO) v1.0

INF&RNO (INtegrated Fluid & paRticle simulation cOde) is a 2D cylindrical (r-z) code to model the interaction of short laser pulse(s) with an underdense plasma. The code is based on an envelope model for the laser field, and the action of the laser on the plasma is modeled with the time-averaged ponderomotive force approximation. The code features an improved laser envelope solver which enables an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution.

Benedetti, Carlo [Lawrence Berkeley National Labor↗

DOE OSTI2025

Manuscript model outputs, model source code, and figure scripts: The role of geomorphology in mediating biomass allocation impacts on salt-marsh resilience and carbon accumulation

This data package provides model source code (C++), model outputs, and figure generation scripts (R) needed to reproduce the following manuscript: Bruns, Nicholas E., Genevieve L. Noyce, and Matthew L. Kirwan. "The Role of Geomorphology in Mediating Biomass Allocation Impacts on Salt-Marsh Resilience and Carbon Accumulation." Estuarine, Coastal and Shelf Science 327 (December 2025): 109549. https://doi.org/10.1016/j.ecss.2025.109549. This manuscript investigates how geomorphology mediates the impact of biomass allocation shifts on salt marsh persistence and carbon (C) sequestration under sea level rise. We use a 1-D soil-column model (Kirwan and Mudd 2012) to perform experiments across a range of static root:shoot ratios (RSR = 1-4) spanning observed values. The model explicitly simulates interactions between tidal inundation, productivity, inorganic sediment deposition, and organic matter accumulation. Experiments determine whether geomorphic feedbacks amplify, dampen, or leave unchanged the ecosystem response to biomass allocation shifts. A first experiment uses constant sea level rise (2.5 mm/yr) to examine equilibrium dynamics and their influence on carbon accumulation rates across different suspended sediment concentrations (SSC). A second set of experiments calculates threshold sea level rise rates for marsh drowning across RSR and SSC combinations. Final experiments apply accelerating sea level rise scenarios (2000-2200) derived from NOAA projections (Sweet et al. 2022) to generate an envelope of expected responses, quantifying the importance of biomass allocation shifts on marsh carbon accumulation and persistence. All experiments are repeated across SSC ranging from 5-50 mg/L to investigate how these interactions vary in micro-tidal marshes with different sediment supplies. Package contents: * README.txt with detailed description of package contents and instructions for reproducing manuscript figures and model outputs * R scripts for generating all manuscript figures * C++ baseline model code from Kirwan and Mudd (2012) * C++ source code for 4 experimental model variants used in the manuscript, extending above baseline code * Model input files (.csv, .txt) including sea level rise scenarios * Model output files (.txt) used in manuscript analyses Temporal coverage: Model simulations span years 1900-2200, with accelerating sea level rise scenarios for 2000-2200. Key variables: Root:shoot ratio, suspended sediment concentration, carbon accumulation rate, vertical accretion rate, marsh elevation, inundation depth, threshold sea level rise rate.

54 ENVIRONMENTAL SCIENCES↗