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At least 73 records · Page 4

Solid State Memory Study Final Report

Existing and future solid state nonvolatile memory technologies are described and evaluated in this report. Solid state memory technologies can offer size, speed, power, weight, and ruggedness advantages over conventional moving media storage technologoies such as disk or tape. This technology list is a broad sampling of past, present, emerging, and future solid state memory technologies.

Solid State Memory↗

HydroEcoLSTM: A Python package with graphical user interface for hydro-ecological modeling with long short-term memory neural network

Machine learning (ML) is emerging as a promising tool for modeling hydro-ecological processes due to the increasing availability of large environmental data. However, the use of ML requires sufficient programming knowledge due to a lack of a graphical user interface (GUI). In this study, we introduced a GUI package, named HydroEcoLSTM, with the long short-term memory network (LSTM) as the core model, that allows non-ML experts to utilize their domain knowledge to construct complex ML models. We demonstrated the functionalities of HydroEcoLSTM with two practical examples, including (1) predictions of streamflow in both gauged and ungauged catchments and (2) predictions of multiple outputs (i.e., streamflow and isotope transport from two catchments). The simulation results obtained in both case experiments are satisfactory. In the first example, the average Nash–Sutcliffe Efficiency (NSE) for streamflow simulation during the testing period is 0.79 while the application of the trained model in two assumed ungauged catchments also achieves the average NSE of 0.68. In the second example, the average NSE for streamflow and instream isotope simulation during the testing period is 0.71. Ultimately, applications of HydroEcoLSTM with real-world examples demonstrate its potential use for practical applications and research without requiring extensive coding skills.

54 ENVIRONMENTAL SCIENCES↗

Controlling reversible phase transitions in rare-earth nickelates for novel memory devices

Resistive switching in correlated complex oxides is lucrative for emerging applications in neuromorphic computing, and densely scaled non-volatile memory. Electrical conductance of such complex oxides can be controllable switched across multiple orders of magnitude by either (a) electroforming a conduction channel (e.g., in tungsten oxide), or (b) inducing Mott-Hubbard transition (e.g., in rare-earth nickelates)– both via controlled migration of defects (such as oxygen vacancies) under applied bias. Nevertheless, the promise of such defect-driven electronic transitions are far from realized due to a lack of fundamental understanding of the atomic-scale processes that underlie migration and spatiotemporal evolution of oxygen vacancies over nano-to-mesoscopic length/timescales under applied electric field. In this project, we employ a synergistic integration of density functional theory (DFT) calculations, ab initio/classical molecular dynamics (AIMD/CMD) simulations, machine learning (ML), precision synthesis, and multi-modal X-ray imaging experiments to address this knowledge gap. Such an integrated approach offers to elucidate the correlations between subtle structural distortion and oxidation states; treat localized charge carriers; describe defect/ion transport in the presence of electric field; and, in turn, greatly advance the current understanding of microstructural evolution in complex oxides under applied bias. The fundamental knowledge gained from this work will enable precise control over hierarchical defect structures and unravel new routes to manipulate resistance states in complex oxides. This, in turn, will accelerate design of novel devices with desired set of neural functionalities, and high-speed densely-scaled resistive random access memory technologies.

36 MATERIALS SCIENCE↗

Tunable Interfacial to Filamentary Resistive Switching Mechanism in Room-Temperature-Grown Amorphous YBa 2 Cu 3 O x with Excess Cu Addition

Resistive switching technologies have the potential not only to create large efficiency gains in computer memory but also to revolutionize emerging fields such as neuromorphic computing. In this paper, we report on novel resistive switching behavior in devices made from room-temperature-grown Cu-rich amorphous YBa 2 Cu 3 O x (YBCO) films, a material otherwise well-known as a high-temperature superconductor. In Nb:STO substrate/amorphous YBCO film (≈200 nm)/metallic Cu (15 nm)/metallic Pt (15 nm) devices, we demonstrate that the resistive switching can be tuned between mechanisms involving extended areas of the YBCO/electrode interface and a single-point filamentary mechanism simply by changing the Cu content of the deposition target and hence in the films. Changing the Cu content can also be used to optimize the properties of the devices further, with devices with an added 15 mol % of Cu in YBCO initially providing an on/off ratio >100, switching endurance potential >6500 cycles, and state retention >2 × 10 4 s, all at low switching fields of 0.3 MV/cm. The amalgam of promising resistive switching properties, fast growth (150 nm/min) at room temperature, and tuneability of the switching mechanism indicates the strong potential of this proof-of-concept amorphous system for future memory applications.

Cu↗

Exploring the Capabilities of a Machine Learning Algorithm to Detect Space Weather-Significant Emerging Active Regions

Active regions are a source of various phenomena responsible for Space Weather disturbances; therefore, developing a technology for early warning about upcoming magnetic activity is crucial to mitigate its impact. However, observational limitations and the high nonlinearity of processes associated with the accumulation of magnetic flux and its interaction with the surrounding plasma during the emergence through the convection zone make early activity detection a challenging problem. To address these challenges, we developed a physics-driven machine learning model that allows us to detect active regions (ARs) before they become visible on the solar surface by analyzing the power spectra of acoustic oscillations observed by the SDO/HMI instrument. This study is based on a time series of Doppler shift maps of 31x31-degree areas tracked with the Carrington rotation rate for four days before and after the emergence. The Doppler shift time series are processed into the oscillation power maps for four frequency ranges and accompanied by line-of-sight magnetograms and the continuum intensity maps from SDO/HMI. The resulting data are converted into a 1D time series representing the mean temporal variations of these quantities. The redacted time series are used as input to predict AR emergence using the Long Short Term Memory (LSTM) method. The training of the LSTM model is based on 40 ARs, which includes an independent analysis for each sub region that exhibits AR emergence or remains quiet. The emergence of magnetic flux (defined as a decrease of the continuum intensity) was detected with the developed LSTM algorithm from 5 to 48 hours before the reported time by NOAA. The developed model is capable of pointing to the time and location of active region formation. In this presentation, we discuss reasons that impact how early in advance the model can identify the upcoming activity and the possibility of improving the current predictive skills and steps to transition to the operational forecast.

Heliophysics↗

GASNet-EX Memory Kinds: Support for Device Memory in PGAS Programming Models

There is an emerging need for adaptive, lightweight communication in irregular HPC applications at exascale, where GPU accelerators provide the majority of available compute cycles. To address this need, Lawrence Berkeley National Lab is developing a programming system to support distributed-memory HPC application development using the Partitioned Global Address Space (PGAS) model. This work includes two major components: UPC++ and GASNet-EX. UPC++ is a C++ template library providing Remote Memory Access (RMA) and Remote Procedure Call (RPC) communication interfaces. GASNet-EX is a portable, high-performance communication middleware library, used by the implementations of UPC++ and many other PGAS programming models. We describe recent advances in GASNet-EX to efficiently implement zero-copy Remote Memory Access (RMA) communication to and from memory on accelerator devices such as GPUs. We demonstrate performance improvements via benchmark results from UPC++ (on Summit) and the Legion programming system (on DGX-1), both using GASNet-EX for communication.

Hargrove, Paul H↗

Let’s get our hands dirty: a comprehensive evaluation of DAQDB, key-value store for petascale hot storage

Data acquisition systems are a key component for successful data taking in any experiment. The DAQ is a complex distributed computing system and coordinates all operations, from the data selection stage of interesting events to storage elements. For the High Luminosity upgrade of the Large Hadron Collider, the experiments at CERN need to meet challenging requirements to record data with a much higher occupancy in the detectors. The DAQ system will receive and deliver data with a significantly increased trigger rate, one million events per second, and capacity, terabytes of data per second. An effective way to meet these requirements is to decouple real-time data acquisition from event selection. Data fragments can be temporarily stored in a large distributed key-value store. Fragments belonging to the same event can be then queried on demand, by the data selection processes. Implementing such a model relies on a proper combination of emerging technologies, such as persistent memory, NVMe SSDs, scalable networking, and data structures, as well as high performance, scalable software. In this paper, we present DAQDB (Data Acquisition Database) — an open source implementation of this design that was presented earlier, with an extensive evaluation of this approach, from the single node to the distributed performance. Furthermore, we complement our study with a description of the challenges faced and the lessons learned while integrating DAQDB with the existing software framework of the ATLAS experiment.

Abed Abud, Adam↗

Origins of magnetic memory and strong exchange bias bordering magnetic compensation in mixed-lanthanide systems

Here, the unexpected physical phenomena resulting from the seemingly inconsequential substitutions of chemically similar lanthanide elements in the Pr 1-x Gd x ScGe system are exploited to further the understanding of rare-earth magnetism and inform materials design. By directly probing magnetic moments of crystallographically indistinguishable Pr and Gd we solve the puzzles of how an unusual magnetic memory and strong exchange bias emerge at specific, easily predictable chemistries. Both effects are rooted in a robust antiparallel arrangement of large 4f magnetic moments of light and heavy lanthanides. This enables precise control of nearly zero net magnetization either opposed to, or aligned with, the external magnetic field that persists over a wide range of temperatures and fields. Further, spontaneous perturbations in the random distribution of lanthanide ions makes strong exchange bias possible in bulk single-phase compounds bordering magnetic compensation, consequently expanding the materials base beyond artificial magnetic multilayers and broadening the range of potential applications of the phenomenon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nitrogen Vacancies Induce Fatigue in Ferroelectric Al 0.93 B 0.07 N

Wurtzite ferroelectrics (e.g., Al 0.93 B 0.07 N) are being explored for high-temperature and emerging near-, or in-compute, memory architectures due to the material advantages offered by their large remanent polarization and robust chemical stability. Despite these advantages, current Al0.93B0.07N devices do not have sufficient endurance lifetime to meet roadmap targets. To identify the defects responsible for this limited endurance, a combination of electronic measurements and optical spectroscopies characterized the evolution of defect states within Al 0.93 B 0.07 N with cycling. Ultrathin (∼10 nm) metal contacts were used to optically probe regions subject to ferroelectric switching; photoluminescence spectroscopy identified the emergence of a transition near 2.1 eV whose intensity scaled with the non-switching polarization quantified via positive-up negative-down (PUND) measurements. Accompanying thermally stimulated depolarization current (TSDC) and modulus spectroscopy measurements also observed the strengthening of a state near 2.1 eV. The origin of this feature is ascribed to transitions between a nitrogen vacancy and another defect deeper in the bandgap. Recognizing that the impurity concentration is largely fixed, strengthening of this transition indicates an increase in the number of nitrogen vacancies. Switching, therefore, creates vacancies in Al 0.93 B 0.07 N likely due to hot-atom damage induced by the aggressive fields necessary to switch wurtzite materials that ultimately limits endurance.

36 MATERIALS SCIENCE↗

Radiation Test Challenges for Scaled Commerical Memories

As sub-100nm CMOS technologies gather interest, the radiation effects performance of these technologies provide a significant challenge. In this talk, we shall discuss the radiation testing challenges as related to commercial memory devices. The focus will be on complex test and failure modes emerging in state-of-the-art Flash non-volatile memories (NVMs) and synchronous dynamic random access memories (SDRAMs), which are volatile. Due to their very high bit density, these device types are highly desirable for use in the natural space environment. In this presentation, we shall discuss these devices with emphasis on considerations for test and qualification methods required.

LaBel, Kenneth A.↗

Approaches for the Simulation of Coupled Processes in Evolving Fractured Porous Media Enabled by Exascale Computing

Models have historically represented fractured porous media with continuum descriptions that characterize the media using bulk parameters. The impact of small-scale features is not captured in these models, although they may be controlling the performance of subsurface applications. Pore-scale models can simulate processes in small-scale features by representing the pore space geometry explicitly but are computationally expensive for large domains. The alternative multiscale approach entails the combination of pore-scale and continuum-scale descriptions in a single framework. We use Chombo-Crunch, a computational capability that discretizes complex geometries with an adaptive, embedded boundary method to contrast these two approaches. Chombo-Crunch takes advantage of recent computational performance and memory bandwidth improvements resulting from the emergence of exascale computing resources. These combined improvements enable the efficient simulation of reactive transport in fractured media with a high degree of fidelity and the ability to capture the control small-scale processes exert on the overall medium evolution.

42 ENGINEERING↗

Optimizing Data Movement for GPU-Based In-Situ Workflow Using GPUDirect RDMA

The extreme-scale computing landscape is increasingly dominated by GPU-accelerated systems. At the same time, in-situ workflows that employ memory-to-memory inter-application data exchanges have emerged as an effective approach for leveraging these extreme-scale systems. In the case of GPUs, GPUDirect RDMA enables third-party devices, such as network interface cards, to access GPU memory directly and has been adopted for intra-application communications across GPUs. In this paper, we present an interoperable framework for GPU-based in-situ workflows that optimizes data movement using GPUDirect RDMA. Specifically, we analyze the characteristics of the possible data movement pathways between GPUs from an in-situ workflow perspective, and design a strategy that maximizes throughput. Furthermore, we implement this approach as an extension of the DataSpaces data staging service, and experimentally evaluate its performance and scalability on a current leadership GPU cluster. The performance results show that the proposed design reduces data-movement time by up to 53% and 40% for the sender and receiver, respectively, and maintains excellent scalability for up to 256 GPUs.

Zhang, Bo↗

Electrochemical Random-Access Memory: Progress, Perspectives, and Opportunities

Non-von Neumann computing using neuromorphic systems based on analogue synaptic and neuronal elements has emerged as a potential solution to tackle the growing need for more efficient data processing, but progress toward practical systems has been stymied due to a lack of materials and devices with the appropriate attributes. Recently, solid state electrochemical ion-insertion, also known as electrochemical random access memory (ECRAM) has emerged as a promising approach to realize the needed device characteristics. ECRAM is a three terminal device that operates by tuning electronic conductance in functional materials through solid-state electrochemical redox reactions. This mechanism can be considered as a gate-controlled bulk modulation of dopants and/or phases in the channel. Early work demonstrating that ECRAM can achieve nearly ideal analogue synaptic characteristics has sparked tremendous interest in this approach. More recently, the realization that electrochemical ion insertion can be used to tune the electronic properties of many types of materials including transition metal oxides, layered two-dimensional materials, organic and coordination polymers, and that the changes in conductance can span orders of magnitude has further attracted interest in ECRAM as the basis for analogue synaptic elements for inference accelerators as well as for dynamical devices that can emulate a wide range of neuronal characteristics for implementation in analogue spiking neural networks. At its core, ECRAM shares many fundamental aspects with rechargeable batteries, where ion insertion materials are used extensively for their ability to reversibly store charge and energy. Computing applications, however, present drastically different requirements: systems will require many millions of devices, scaled down to tens of nanometers, all while achieving reliable electronic-state tuning at scaled-up rates and endurances, and with minimal energy dissipation and noise. Further, in this review, we discuss the history, basic concepts, recent progress, as well as the challenges and opportunities for different types of ECRAM, broadly grouped by their primary mobile ionic charge carrier, including Li, protons, and oxygen vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural insights into protection against a SARS-CoV-2 spike variant by T cell receptor diversity

T cells play a crucial role in combatting SARS-CoV-2 and forming long-term memory responses to this coronavirus. The emergence of SARS-CoV-2 variants that can evade T cell immunity has raised concerns about vaccine efficacy and the risk of reinfection. Some SARS-CoV-2 T cell epitopes elicit clonally restricted CD8 + T cell responses characterized by T cell receptors (TCRs) that lack structural diversity. Mutations in such epitopes can lead to loss of recognition by most T cells specific for that epitope, facilitating viral escape. Here, we studied an HLA-A2–restricted spike protein epitope (RLQ) that elicits CD8 + T cell responses in COVID-19 convalescent patients characterized by highly diverse TCRs. We previously reported the structure of an RLQ-specific TCR (RLQ3) with greatly reduced recognition of the most common natural variant of the RLQ epitope (T1006I). Opposite to RLQ3, TCR RLQ7 recognizes T1006I with even higher functional avidity than the WT epitope. To explain the ability of RLQ7, but not RLQ3, to tolerate the T1006I mutation, we determined structures of RLQ7 bound to RLQ–HLA-A2 and T1006I–HLA-A2. These complexes show that there are multiple structural solutions to recognizing RLQ and thereby generating a clonally diverse T cell response to this epitope that assures protection against viral escape and T cell clonal loss.

60 APPLIED LIFE SCIENCES↗

Thermal conductivity of (Ge 2 Sb 2 Te 5 ) 1–x Cx phase change films

Germanium–antimony–telluride has emerged as a nonvolatile phase change memory material due to the large resistivity contrast between amorphous and crystalline states, rapid crystallization, and cyclic endurance. Improving thermal phase stability, however, has necessitated further alloying with optional addition of a quaternary species (e.g., C). In this work, the thermal transport implications of this additional species are investigated using frequency-domain thermoreflectance in combination with structural characterization derived from x-ray diffraction and Raman spectroscopy. Specifically, the room temperature thermal conductivity and heat capacity of (Ge 2 Sb 2 Te 5 ) 1–x C x are reported as a function of carbon concentration (x ≤ 0:12) and anneal temperature (T ≤ 350 °C) with results assessed in reference to the measured phase, structure, and electronic resistivity. Phase stability imparted by the carbon comes with comparatively low thermal penalty as materials exhibiting similar levels of crystallinity have comparable thermal conductivity despite the addition of carbon. The additional thermal stability provided by the carbon does, however, necessitate higher anneal temperatures to achieve similar levels of structural order.

42 ENGINEERING↗

Multistate resistance in TaN/(Hf,Zr)O 2 /Ta ferroelectric tunnel junctions

Ferroelectric tunnel junctions (FTJs) utilizing hafnium zirconium oxide (HZO) have emerged as promising non-volatile memory elements for microelectronics, compatible with back end of line (BEOL) complementary–metal–oxide semiconductor fabrication. This study investigates asymmetric electrode TaN/HZO/Ta devices with a 6 nm thick HZO layer as FTJs for multistate resistive memory applications. The individual FTJs exhibit a resistance ratio exceeding 10× when utilized as a binary state device, with pulsing between −1.7 and +1.4 V to set the high resistance state (HRS) and low resistance state (LRS), respectively. Following with reduced write voltage pulses allows the ferroelectric device to operate with a selection of over 32 distinct resistance states (2 5 bits) between the LRS and HRS. This work then explores the stability of the resistance states during write/read pulse cycling, along with the stability of the state after multiple read pulses. Accessing the multibit state shows stability within 50 reads with the binary state remaining stable for more than 4000 reads pulses. With their multistate tunability and versatility, FTJs hold promise as BEOL memory elements for compute-in-memory (CiM) arrays, binary digital memory, or weighted vector matrix multiplication applications with low power consumption during computations.

CMOS↗

FPGA-Accelerated Range-Limited Molecular Dynamics

Long timescale Molecular Dynamics (MD) simulation of small molecules is crucial in drug design and basic science. To accelerate a small data set that is executed for a large number of iterations, high-efficiency is required. Recent work in this domain has demonstrated that among COTS devices only FPGA-centric clusters can scale beyond a few processors. The problem addressed here is that, as the number of on-chip processors has increased from fewer than 10 into the hundreds, previous intra-chip routing solutions are no longer viable. We find, however, that through various design innovations, high efficiency can be maintained. These include replacing the previous broadcast networks with ring-routing and then augmenting the rings with out-of-order and caching mechanisms. Others are adding a level of hierarchical filtering and memory recycling. Two novel optimized architectures emerge, together with a number of variations. These are validated, analyzed, and evaluated. We find that in the domain of interest speed-ups over GPUs are achieved. Finally, the potential impact is that this system promises to be the basis for scalable long timescale MD with commodity clusters.

97 MATHEMATICS AND COMPUTING↗

High Energy Density Shape Memory Polymers Using Strain-Induced Supramolecular Nanostructures

Shape memory polymers are promising materials in many emerging applications due to their large extensibility and excellent shape recovery. However, practical application of these polymers is limited by their poor energy densities (up to ~1 MJ/m 3 ). Here, we report an approach to achieve a high energy density, one-way shape memory polymer based on the formation of strain-induced supramolecular nanostructures. As polymer chains align during strain, strong directional dynamic bonds form, creating stable supramolecular nanostructures and trapping stretched chains in a highly elongated state. Upon heating, the dynamic bonds break, and stretched chains contract to their initial disordered state. This mechanism stores large amounts of entropic energy (as high as 19.6 MJ/m 3 or 17.9 J/g), almost six times higher than the best previously reported shape memory polymers while maintaining near 100% shape recovery and fixity. The reported phenomenon of strain-induced supramolecular structures offers a new approach toward achieving high energy density shape memory polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗