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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ocean Mesoscale and Frontal-Scale Ocean–Atmosphere Interactions and Influence on Large-Scale Climate: A Review

Two decades of high-resolution satellite observations and climate modeling studies have indicated strong ocean–atmosphere coupled feedback mediated by ocean mesoscale processes, including semipermanent and meandrous SST fronts, mesoscale eddies, and filaments. The air–sea exchanges in latent heat, sensible heat, momentum, and carbon dioxide associated with this so-called mesoscale air–sea interaction are robust near the major western boundary currents, Southern Ocean fronts, and equatorial and coastal upwelling zones, but they are also ubiquitous over the global oceans wherever ocean mesoscale processes are active. Current theories, informed by rapidly advancing observational and modeling capabilities, have established the importance of mesoscale and frontal-scale air–sea interaction processes for understanding large-scale ocean circulation, biogeochemistry, and weather and climate variability. However, numerous challenges remain to accurately diagnose, observe, and simulate mesoscale air–sea interaction to quantify its impacts on large-scale processes. This article provides a comprehensive review of key aspects pertinent to mesoscale air–sea interaction, synthesizes current understanding with remaining gaps and uncertainties, and provides recommendations on theoretical, observational, and modeling strategies for future air–sea interaction research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Toward a least-effort principle for evaluating prices of elements as indicators of sustainability

In this article, we explore simplifying mechanisms in materials economics for conceptionally organizing the flows of chemical elements into society. We use the concept of rank, which plays a crucial role in information theory where power laws are involved, and is a useful measure for seeking extremal principles. Borrowing from an analogy to Zipf’s law leads to a power-law relationship between abundance and rank that—pressing the Zipf’s law analogy further—may suggest that the price paid for elemental materials optimizes efficient utilization. Factors such as weight, volume, and moles in the earth's crust or in global mining production of elements are used in our analysis. For this research, 42 elements with price and production data for the year 2010 (a relatively typical year) were considered. We observe that the role of the volume from global mining production dominates in materials economics and indicate that elements such as Te and He should be sold at prices at leas ~ 100–1000 times more than their present price for efficient utilization.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

A Whirlwind History of Cryptography

This presentation provides an overview of cryptography starting with the Spartan Scytale used extensively during the Peloponnesian wars up through present day. Cryptography and cryptanalysis developed side by side in arms race. Algorithm development stagnated pending cracking. Once a method of crypto was cracked, development took off. Cryptography and cryptanalysis drove developments in math, linguistics, information theory, and quantum theory, and pushed development of the first computers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Developing and applying quantifiable metrics for diagnostic and experiment design on Z

This project applies methods in Bayesian inference and modern statistical methods to quantify the value of new experimental data, in the form of new or modified diagnostic configurations and/or experiment designs. We demonstrate experiment design methods that can be used to identify the highest priority diagnostic improvements or experimental data to obtain in order to reduce uncertainties on critical inferred experimental quantities and select the best course of action to distinguish between competing physical models. Bayesian statistics and information theory provide the foundation for developing the necessary metrics, using two high impact experimental platforms on Z as exemplars to develop and illustrate the technique. We emphasize that the general methodology is extensible to new diagnostics (provided synthetic models are available), as well as additional platforms. We also discuss initial scoping of additional applications that began development in the last year of this LDRD.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

F2D2 Targetry Overview and Conceptual Design Updates

F2D2 is a proposed 2.5 MW beam dump facility using PIP-II beam to serve dark sector physics experiments, and potentially other users. Further updates to the conceptual design are presented, along with targetry theory informing the design.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Quantum Computing Algorithms and Applications for Coherent and Strongly Correlated Chemical Systems

This project advanced quantum algorithms, quantum information theory, strongly correlated electronic structure methods, molecular quantum materials, and exciton transport imaging in coherent condensed phase systems. Across the award period, the team developed new methods for open-quantum-system simulation, Hamiltonian learning, state tomography, reduced-density-matrix and contracted-quantum eigensolver approaches, and quantum diagnostics for device capability and openness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Revisiting Huffman Coding: Toward Extreme Performance on Modern GPU Architectures

Today's high-performance computing (HPC) applications are producing vast volumes of data, which are challenging to store and transfer efficiently during the execution, such that data compression is becoming a critical technique to mitigate the storage burden and data movement cost. Huffman coding is arguably the most efficient Entropy coding algorithm in information theory, such that it could be found as a fundamental step in many modern compression algorithms such as DEFLATE. On the other hand, today's HPC applications are more and more relying on the accelerators such as GPU on supercomputers, while Huffman encoding suffers from low throughput on GPUs, resulting in a significant bottleneck in the entire data processing. In this paper, we propose and implement an efficient Huffman encoding approach based on modern GPU architectures, which addresses two key challenges: (1) how to parallelize the entire Huffman encoding algorithm, including codebook construction, and (2) how to fully utilize the high memory-bandwidth feature of modern GPU architectures. The detailed contribution is fourfold. (1) We develop an efficient parallel codebook construction on GPUs that scales effectively with the number of input symbols. (2) We propose a novel reduction based encoding scheme that can efficiently merge the codewords on GPUs. (3) We optimize the overall GPU performance by leveraging the state-of-the-art CUDA APIs such as Cooperative Groups. (4) We evaluate our Huffman encoder thoroughly using six real-world application datasets on two advanced GPUs and compare with our implemented multithreaded Huffman encoder. Experiments show that our solution can improve the encoding throughput by up to 5.0× and 6.8× on NVIDIA RTX 5000 and V100, respectively, over the state-of-the-art GPU Huffman encoder, and by up to 3.3× over the multithread encoder on two 28-core Xeon Platinum 8280 CPUs.

Tian, Jiannan↗
DOE OSTI2024

Approach for Inferring Full-Scope Human Reliability Data Based on Simplified Simulator Data

This paper proposes a method for inferring full-scope human reliability data based on the Simplified Human Error Experimental Program (SHEEP) data. It mainly focuses on the human errors observed when using simulators with different complexity levels. In the proposed method, the manner in which human error probabilities (HEPs) change as a result of increasing simulator complexity and how simulator complexity levels are quantified represent key information for inferring full-scope data. In the present study, SHEEP error data pertaining to actual professional operators using Rancor Microworld (Rancor) (i.e., a more simplified simulator) and Compact Nuclear Simulator (CNS) (i.e., a less simplified simulator) were compared with the HuREX error data. An approach to quantifying simulator complexity levels was then proposed based on information theory and acquired eye-tracker data.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Chemical information from XPS: Theory and experiment for Ni(OH) 2

For this work, the features and the electronic character of the states for the Ni 2p x-ray photoelectron spectroscopy (XPS) of Ni(OH) 2 were analyzed. This detailed analysis is based on ab initio molecular orbital wavefunctions for a cluster model of Ni(OH) 2 . The theory is validated by comparison with experiment. Then, advanced methods are used to explain and contrast the properties of different groups of ionic states. An important conclusion is that in most cases, the ionic states cannot be described with a single configuration or determinant. Despite this essential many-body character of the XPS, we demonstrate that it is possible to understand the origin of the main and satellite XPS features in terms of their orbital character.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Method of information entropy for convergence assessment of molecular dynamics simulations

The lack of a reliable method to evaluate the convergence of molecular dynamics simulations has contributed to discrepancies in different areas of molecular dynamics. Here, the method of information entropy is introduced to molecular dynamics for stationarity assessment. The Shannon information entropy formalism is used to monitor the convergence of the atom motion to a steady state in a continuous spatial domain and is also used to assess the stationarity of calculated multidimensional fields such as the temperature field in a discrete spatial domain. It is demonstrated in this work that monitoring the information entropy of the atom position matrix provides a clear indicator of reaching steady state in radiation damage simulations, non-equilibrium molecular dynamics thermal conductivity computations, and simulations of Poiseuille and Couette flow in nanochannels. A main advantage of the present technique is that it is non-local and relies on fundamental quantities available in all molecular dynamics simulations. Unlike monitoring average temperature, the technique is applicable to simulations that conserve total energy such as reverse non-equilibrium molecular dynamics thermal conductivity computations and to simulations where energy dissipates through a boundary as in radiation damage simulations. The method is applied to simulations of iron using the Tersoff/ZBL splined potential, silicon using the Stillinger–Weber potential, and to Lennard–Jones fluid. Its applicability to both solids and fluids shows that the technique has potential for generalization to other areas in molecular dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Quantum algorithmic measurement

There has been recent promising experimental and theoretical evidence that quantum computational tools might enhance the precision and efficiency of physical experiments. However, a systematic treatment and comprehensive framework are missing. Here we initiate the systematic study of experimental quantum physics from the perspective of computational complexity. To this end, we define the framework of quantum algorithmic measurements (QUALMs), a hybrid of black box quantum algorithms and interactive protocols. We use the QUALM framework to study two important experimental problems in quantum many-body physics: determining whether a system’s Hamiltonian is time-independent or time-dependent, and determining the symmetry class of the dynamics of the system. We study abstractions of these problems and show for both cases that if the experimentalist can use her experimental samples coherently (in both space and time), a provable exponential speedup is achieved compared to the standard situation in which each experimental sample is accessed separately. Our work suggests that quantum computers can provide a new type of exponential advantage: exponential savings in resources in quantum experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A modified cosmic brane proposal for holographic Renyi entropy

We propose a new formula for computing holographic Renyi entropies in the presence of multiple extremal surfaces. Our proposal is based on computing the wave function in the basis of fixed-area states and assuming a diagonal approximation for the Renyi entropy. For Renyi index n ≥ 1, our proposal agrees with the existing cosmic brane proposal for holographic Renyi entropy. For n < 1, however, our proposal predicts a new phase with leading order (in Newton’s constant G) corrections to the cosmic brane proposal, even far from entanglement phase transitions and when bulk quantum corrections are unimportant. Recast in terms of optimization over fixed-area states, the difference between the two proposals can be understood to come from the order of optimization: for n < 1, the cosmic brane proposal is a minimax prescription whereas our proposal is a maximin prescription. We demonstrate the presence of such leading order corrections using illustrative examples. In particular, our proposal reproduces existing results in the literature for the PSSY model and high-energy eigenstates, providing a universal explanation for previously found leading order corrections to the n < 1 Renyi entropies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Entropy of the Quantum–Classical Interface: A Potential Metric for Security

Hybrid quantum–classical systems are emerging as key platforms in quantum computing, sensing, and communication technologies, but the quantum–classical interface (QCI)—the boundary enabling these systems—introduces unique and largely unexplored security vulnerabilities. This position paper proposes using entropy-based metrics to monitor and enhance security, specifically at the QCI. We present a theoretical security outline that leverages well-established information-theoretic entropy measures, such as Shannon entropy, von Neumann entropy, and quantum relative entropy, to detect anomalous behaviors and potential breaches at the QCI. By linking entropy fluctuations to scenarios of practical relevance—including quantum key distribution, quantum sensing, and hybrid control systems—we promote the potential value and applicability of entropy-based security monitoring. While explicitly acknowledging practical limitations and theoretical assumptions, we argue that entropy-based metrics provide a complementary approach to existing security methods, inviting further empirical studies and theoretical refinements that can strengthen future quantum technologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Obstacles to Practical Digital Supply Chain Risk Management in the Energy Sector

Cyber supply chain risk management (C-SCRM) programs must consider operations that depend on the lifecycles of digital components such as hardware, firmware, software, and services. We integrate academic literature, historical incidents, and existing standards to identify obstacles faced by C-SCRM programs.

Business Process Management & Integration↗
DOE OSTI2025

Diagonal Approximation for Holographic Rényi Entropies

Recently, Dong et al., [A modified cosmic brane proposal for holographic Renyi entropy, J. High Energy Phys. 06 (2024) 120] proposed a modified cosmic brane prescription for computing the Rényi entropy 𝑆𝛼 of a holographic system in the presence of multiple extremal surfaces. This prescription was found by assuming a diagonal approximation, where the Rényi entropy is computed after first measuring the areas of all extremal surfaces. We derive this diagonal approximation for the case of two extremal surfaces and show that it accurately computes Rényi entropies up to 𝑂⁡(log⁡𝐺) corrections. For 𝛼 <1, this allows us to derive the modified cosmic brane prescription, which differs from the original cosmic brane prescription at leading order in 𝐺. For 𝛼 >1, it leads to the original cosmic brane prescription without needing to assume that replica symmetry is unbroken in the bulk.

FOS: Physical sciences↗
DOE OSTI2024

The black hole interior from non-isometric codes and complexity

Quantum error correction has given us a natural language for the emergence of spacetime, but the black hole interior poses a challenge for this framework: at late times the apparent number of interior degrees of freedom in effective field theory can vastly exceed the true number of fundamental degrees of freedom, so there can be no isometric (i.e. inner-product preserving) encoding of the former into the latter. In this paper we explain how quantum error correction nonetheless can be used to explain the emergence of the black hole interior, via the idea of “non-isometric codes protected by computational complexity”. We show that many previous ideas, such as the existence of a large number of “null states”, a breakdown of effective field theory for operations of exponential complexity, the quantum extremal surface calculation of the Page curve, post-selection, “state-dependent/state-specific” operator reconstruction, and the “simple entropy” approach to complexity coarse-graining, all fit naturally into this framework, and we illustrate all of these phenomena simultaneously in a soluble model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Structure of the Majorana Clifford group

In quantum information science, Clifford operators and stabilizer codes play a central role for systems of qubits (or qudits). In this study, we study their analogs for systems composed of Majorana fermions. In this case, a crucial role is played by fermion parity symmetry, which is an unbreakable symmetry present in any system with fundamentally fermionic degrees of freedom. We prove that the subgroup of parity-preserving Majorana Cliffords can be represented by the orthogonal group over the binary field 𝔽 2 , and we show how it can be generated by braiding operators and used to construct any (even-parity) Majorana stabilizer code. We also analyze the frame potential for this so-called p-Clifford group when acting on a fixed-parity sector of the Hilbert space, proving that it is equivalent to the frame potential of the ordinary Clifford group acting on the same sector.

Computational complexity↗